CID 92488
Einecs 260-325-0
Structural Information
- Molecular Formula
- C29H22N6O6S
- SMILES
- C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)O)N=NC4=C(C=CC5=CC(=CC(=C54)O)S(=O)(=O)O)N
- InChI
- InChI=1S/C29H22N6O6S/c30-25-14-3-18-15-24(42(39,40)41)16-26(37)27(18)28(25)35-34-20-4-1-17(2-5-20)29(38)31-19-6-8-21(9-7-19)32-33-22-10-12-23(36)13-11-22/h1-16,36-37H,30H2,(H,31,38)(H,39,40,41)
- InChIKey
- OOVIVLRCIYZYTO-UHFFFAOYSA-N
- Compound name
- 6-amino-4-hydroxy-5-[[4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]carbamoyl]phenyl]diazenyl]naphthalene-2-sulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 583.13942 | 229.7 |
[M+Na]+ | 605.12136 | 233.8 |
[M-H]- | 581.12486 | 243.1 |
[M+NH4]+ | 600.16596 | 231.7 |
[M+K]+ | 621.09530 | 230.4 |
[M+H-H2O]+ | 565.12940 | 216.9 |
[M+HCOO]- | 627.13034 | 251.0 |
[M+CH3COO]- | 641.14599 | 270.9 |
[M+Na-2H]- | 603.10681 | 237.7 |
[M]+ | 582.13159 | 232.3 |
[M]- | 582.13269 | 232.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.