CID 16131309
104199-51-1
Structural Information
- Molecular Formula
- C42H33N11O13S3
- SMILES
- CC1=CC(=C(C=C1N=NC2=CC(=C(C(=C2O)N=NC3=CC=CC=C3)O)N=NC4=C5C=CC(=CC5=C(C=C4O)S(=O)(=O)O)[N+](=O)[O-])NS(=O)(=O)C)N=NC6=CC(=C(C=C6)NC7=CC=CC=C7)S(=O)(=O)O
- InChI
- InChI=1S/C42H33N11O13S3/c1-23-17-32(47-45-26-13-16-30(38(18-26)69(64,65)66)43-24-9-5-3-6-10-24)33(52-67(2,59)60)20-31(23)46-48-34-21-35(42(56)40(41(34)55)51-44-25-11-7-4-8-12-25)49-50-39-28-15-14-27(53(57)58)19-29(28)37(22-36(39)54)68(61,62)63/h3-22,43,52,54-56H,1-2H3,(H,61,62,63)(H,64,65,66)
- InChIKey
- BCPNOWKKINQPFP-UHFFFAOYSA-N
- Compound name
- 4-[[5-[[4-[(4-anilino-3-sulfophenyl)diazenyl]-5-(methanesulfonamido)-2-methylphenyl]diazenyl]-2,4-dihydroxy-3-phenyldiazenylphenyl]diazenyl]-3-hydroxy-7-nitronaphthalene-1-sulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 996.14943 | 298.4 |
[M+Na]+ | 1018.1314 | 311.4 |
[M-H]- | 994.13487 | 306.0 |
[M+NH4]+ | 1013.1760 | 307.2 |
[M+K]+ | 1034.1053 | 302.1 |
[M+H-H2O]+ | 978.13941 | 284.4 |
[M+HCOO]- | 1040.1404 | 307.0 |
[M+CH3COO]- | 1054.1560 | 308.7 |
[M+Na-2H]- | 1016.1168 | 339.7 |
[M]+ | 995.14160 | 357.1 |
[M]- | 995.14270 | 357.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.