CID 81209
Einecs 229-762-4
Structural Information
- Molecular Formula
- C28H20N2O10S2
- SMILES
- C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=C4C=CC=C(C4=C3OS(=O)(=O)O)NC(=O)C5=CC=CC=C5)OS(=O)(=O)O
- InChI
- InChI=1S/C28H20N2O10S2/c31-27(17-9-3-1-4-10-17)29-21-15-7-13-19-23(21)25(39-41(33,34)35)20-14-8-16-22(24(20)26(19)40-42(36,37)38)30-28(32)18-11-5-2-6-12-18/h1-16H,(H,29,31)(H,30,32)(H,33,34,35)(H,36,37,38)
- InChIKey
- ALYHHOCZUBTGNI-UHFFFAOYSA-N
- Compound name
- (1,5-dibenzamido-10-sulfooxyanthracen-9-yl) hydrogen sulfate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 609.06318 | 229.2 |
[M+Na]+ | 631.04512 | 232.3 |
[M-H]- | 607.04862 | 235.8 |
[M+NH4]+ | 626.08972 | 229.8 |
[M+K]+ | 647.01906 | 229.7 |
[M+H-H2O]+ | 591.05316 | 219.5 |
[M+HCOO]- | 653.05410 | 236.6 |
[M+CH3COO]- | 667.06975 | 254.1 |
[M+Na-2H]- | 629.03057 | 240.4 |
[M]+ | 608.05535 | 236.2 |
[M]- | 608.05645 | 236.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.