CID 135802255
85392-59-2
Structural Information
- Molecular Formula
- C25H18N6O16S2
- SMILES
- C1=C(C=C(C(=C1N=NC2=C(C=C(C(=C2)CC3=CC(=C(C=C3O)O)N=NC4=C(C(=CC(=C4)S(=O)(=O)O)[N+](=O)[O-])O)O)O)O)S(=O)(=O)O)[N+](=O)[O-]
- InChI
- InChI=1S/C25H18N6O16S2/c32-19-8-21(34)14(26-28-16-4-12(30(38)39)5-23(25(16)37)49(45,46)47)2-10(19)1-11-3-15(22(35)9-20(11)33)27-29-17-6-13(48(42,43)44)7-18(24(17)36)31(40)41/h2-9,32-37H,1H2,(H,42,43,44)(H,45,46,47)
- InChIKey
- SUGLBGOIJSBTEO-UHFFFAOYSA-N
- Compound name
- 3-[[5-[[2,4-dihydroxy-5-[(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]phenyl]methyl]-2,4-dihydroxyphenyl]diazenyl]-2-hydroxy-5-nitrobenzenesulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 723.02938 | 229.2 |
[M+Na]+ | 745.01132 | 234.9 |
[M+NH4]+ | 740.05592 | 234.1 |
[M+K]+ | 760.98526 | 233.8 |
[M-H]- | 721.01482 | 227.9 |
[M+Na-2H]- | 742.99677 | 258.2 |
[M]+ | 722.02155 | 232.2 |
[M]- | 722.02265 | 232.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.