CID 166166
71459-28-4
Structural Information
- Molecular Formula
- C46H29N7O6S
- SMILES
- CSC1=NC(=NC(=N1)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC(=O)C5=CC=CC=C5)NC6=CC=CC7=C6C(=O)C8=C(C7=O)C(=CC=C8)NC(=O)C9=CC=CC=C9
- InChI
- InChI=1S/C46H29N7O6S/c1-60-46-52-44(49-32-22-10-18-28-36(32)40(56)26-16-8-20-30(34(26)38(28)54)47-42(58)24-12-4-2-5-13-24)51-45(53-46)50-33-23-11-19-29-37(33)41(57)27-17-9-21-31(35(27)39(29)55)48-43(59)25-14-6-3-7-15-25/h2-23H,1H3,(H,47,58)(H,48,59)(H2,49,50,51,52,53)
- InChIKey
- PCSLQKFKSMBVDF-UHFFFAOYSA-N
- Compound name
- N-[5-[[4-[(5-benzamido-9,10-dioxoanthracen-1-yl)amino]-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-9,10-dioxoanthracen-1-yl]benzamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 808.19728 | 265.4 |
[M+Na]+ | 830.17922 | 272.2 |
[M-H]- | 806.18272 | 259.9 |
[M+NH4]+ | 825.22382 | 265.8 |
[M+K]+ | 846.15316 | 261.6 |
[M+H-H2O]+ | 790.18726 | 248.1 |
[M+HCOO]- | 852.18820 | 266.9 |
[M+CH3COO]- | 866.20385 | 269.8 |
[M+Na-2H]- | 828.16467 | 280.6 |
[M]+ | 807.18945 | 304.0 |
[M]- | 807.19055 | 304.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.