CID 16131264
Einecs 272-429-3
Structural Information
- Molecular Formula
- C66H36N4O8
- SMILES
- C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)NC4=CC5=C(C=C4)C6=C7C(=CC=C8C7=C(C=C6)C(=O)C9=C8C=CC(=C9)NC1=C2C(=C(C=C1)NC(=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1C2=O)C5=O)C(=O)C1=CC=CC=C1C3=O
- InChI
- InChI=1S/C66H36N4O8/c71-59-45-25-24-40-38-22-20-36(68-50-28-30-52(70-66(78)34-13-5-2-6-14-34)58-56(50)62(74)42-16-8-10-18-44(42)64(58)76)32-48(38)60(72)46-26-23-39(53(45)54(40)46)37-21-19-35(31-47(37)59)67-49-27-29-51(69-65(77)33-11-3-1-4-12-33)57-55(49)61(73)41-15-7-9-17-43(41)63(57)75/h1-32,67-68H,(H,69,77)(H,70,78)
- InChIKey
- FPYVZVAVJMWSOP-UHFFFAOYSA-N
- Compound name
- N-[4-[[16-[(4-benzamido-9,10-dioxoanthracen-1-yl)amino]-8,19-dioxo-5-hexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaenyl]amino]-9,10-dioxoanthracen-1-yl]benzamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1013.2606 | 292.3 |
[M+Na]+ | 1035.2425 | 303.5 |
[M-H]- | 1011.2460 | 296.5 |
[M+NH4]+ | 1030.2871 | 298.9 |
[M+K]+ | 1051.2165 | 294.8 |
[M+H-H2O]+ | 995.25056 | 279.3 |
[M+HCOO]- | 1057.2515 | 299.4 |
[M+CH3COO]- | 1071.2672 | 301.3 |
[M+Na-2H]- | 1033.2280 | 315.3 |
[M]+ | 1012.2528 | 336.3 |
[M]- | 1012.2538 | 336.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.