CID 135570994
5905-21-5
Structural Information
- Molecular Formula
- C42H30N6O14S2
- SMILES
- C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC3=CC4=CC(=C(C(=C4C=C3)O)N=NC5=C(C=C(C6=C5C=CC(=C6)S(=O)(=O)O)N=NC7=CC(=C(C=C7)O)C(=O)O)OCC(=O)O)S(=O)(=O)O
- InChI
- InChI=1S/C42H30N6O14S2/c49-34-15-11-27(18-32(34)42(54)55)45-46-33-20-35(62-21-37(50)51)38(30-14-12-28(19-31(30)33)63(56,57)58)47-48-39-36(64(59,60)61)17-23-16-26(10-13-29(23)40(39)52)43-24-6-8-25(9-7-24)44-41(53)22-4-2-1-3-5-22/h1-20,43,49,52H,21H2,(H,44,53)(H,50,51)(H,54,55)(H,56,57,58)(H,59,60,61)
- InChIKey
- UJYZNAGFZGDNTM-UHFFFAOYSA-N
- Compound name
- 5-[[4-[[6-(4-benzamidoanilino)-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-3-(carboxymethoxy)-7-sulfonaphthalen-1-yl]diazenyl]-2-hydroxybenzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 907.13344 | 290.6 |
[M+Na]+ | 929.11538 | 302.4 |
[M-H]- | 905.11888 | 296.5 |
[M+NH4]+ | 924.15998 | 297.5 |
[M+K]+ | 945.08932 | 290.6 |
[M+H-H2O]+ | 889.12342 | 273.0 |
[M+HCOO]- | 951.12436 | 297.7 |
[M+CH3COO]- | 965.14001 | 299.9 |
[M+Na-2H]- | 927.10083 | 318.8 |
[M]+ | 906.12561 | 336.0 |
[M]- | 906.12671 | 336.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.