CID 155802325
Aeruginosamide 639
Structural Information
- Molecular Formula
- C33H45N5O6S
- SMILES
- CC(C)C(C(=O)N1CCCC1C(=O)N2CCCC2C3=NC(=CS3)C(=O)OC)NC(=O)C(CC4=CC=C(C=C4)O)NC(C)(C)C=C
- InChI
- InChI=1S/C33H45N5O6S/c1-7-33(4,5)36-23(18-21-12-14-22(39)15-13-21)28(40)35-27(20(2)3)31(42)38-17-9-11-26(38)30(41)37-16-8-10-25(37)29-34-24(19-45-29)32(43)44-6/h7,12-15,19-20,23,25-27,36,39H,1,8-11,16-18H2,2-6H3,(H,35,40)
- InChIKey
- SGQDBLJQURGTKN-UHFFFAOYSA-N
- Compound name
- methyl 2-[1-[1-[2-[[3-(4-hydroxyphenyl)-2-(2-methylbut-3-en-2-ylamino)propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 640.31638 | 248.7 |
[M+Na]+ | 662.29832 | 244.1 |
[M-H]- | 638.30182 | 256.2 |
[M+NH4]+ | 657.34292 | 249.3 |
[M+K]+ | 678.27226 | 243.8 |
[M+H-H2O]+ | 622.30636 | 242.1 |
[M+HCOO]- | 684.30730 | 252.1 |
[M+CH3COO]- | 698.32295 | 266.8 |
[M+Na-2H]- | 660.28377 | 235.9 |
[M]+ | 639.30855 | 249.4 |
[M]- | 639.30965 | 249.4 |
Literature stripe
Patent stripe
No patent data available for this compound.