CID 16130824
N-[5-[[5-[[5-[[4-[[5-[[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-4-oxobutyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide
Structural Information
- Molecular Formula
- C59H72N20O10
- SMILES
- CN1C=CN=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCCC(=O)NC5=CN(C(=C5)C(=O)NC6=CN(C(=C6)C(=O)NC7=CN(C(=C7)C(=O)NC8=CN(C(=C8)C(=O)NCCC(=O)NCCCN(C)C)C)C)C)C)C)C)C
- InChI
- InChI=1S/C59H72N20O10/c1-71(2)19-12-16-60-49(80)14-17-63-53(83)43-23-37(30-74(43)5)66-56(86)46-25-39(32-76(46)7)68-57(87)47-24-38(31-78(47)9)67-54(84)44-21-35(28-75(44)6)64-50(81)13-11-15-62-52(82)42-22-36(29-73(42)4)65-55(85)45-26-40(33-77(45)8)69-58(88)48-27-41(34-79(48)10)70-59(89)51-61-18-20-72(51)3/h18,20-34H,11-17,19H2,1-10H3,(H,60,80)(H,62,82)(H,63,83)(H,64,81)(H,65,85)(H,66,86)(H,67,84)(H,68,87)(H,69,88)(H,70,89)
- InChIKey
- GACGQQWTTOHLOP-UHFFFAOYSA-N
- Compound name
- N-[5-[[5-[[5-[[4-[[5-[[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-4-oxobutyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
| Adduct | m/z | Predicted CCS (Ų) |
|---|---|---|
| [M+H]+ | 1221.5813 | 330.9 |
| [M+Na]+ | 1243.5632 | 337.9 |
| [M-H]- | 1219.5667 | 333.2 |
| [M+NH4]+ | 1238.6078 | 334.9 |
| [M+K]+ | 1259.5372 | 341.5 |
| [M+H-H2O]+ | 1203.5713 | 309.1 |
| [M+HCOO]- | 1265.5722 | 332.8 |
| [M+CH3COO]- | 1279.5879 | 333.0 |
| [M+Na-2H]- | 1241.5487 | 335.9 |
| [M]+ | 1220.5735 | 372.6 |
| [M]- | 1220.5745 | 372.6 |
Literature stripe
Patent stripe
