CID 135853929
1,7-naphthalenedisulfonic acid, 4-(benzoylamino)-6-((4-((ethyl-1-naphthalenylamino)carbonyl)phenyl)azo)-5-hydroxy-, disodium salt
Structural Information
- Molecular Formula
- C36H28N4O9S2
- SMILES
- CCN(C1=CC=CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)N=NC4=C(C5=C(C=CC(=C5C=C4S(=O)(=O)O)S(=O)(=O)O)NC(=O)C6=CC=CC=C6)O
- InChI
- InChI=1S/C36H28N4O9S2/c1-2-40(29-14-8-12-22-9-6-7-13-26(22)29)36(43)24-15-17-25(18-16-24)38-39-33-31(51(47,48)49)21-27-30(50(44,45)46)20-19-28(32(27)34(33)41)37-35(42)23-10-4-3-5-11-23/h3-21,41H,2H2,1H3,(H,37,42)(H,44,45,46)(H,47,48,49)
- InChIKey
- YIBABFQNTYSHLJ-UHFFFAOYSA-N
- Compound name
- 4-benzamido-6-[[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 725.13704 | 255.2 |
[M+Na]+ | 747.11898 | 256.0 |
[M-H]- | 723.12248 | 265.9 |
[M+NH4]+ | 742.16358 | 251.4 |
[M+K]+ | 763.09292 | 254.7 |
[M+H-H2O]+ | 707.12702 | 243.2 |
[M+HCOO]- | 769.12796 | 264.2 |
[M+CH3COO]- | 783.14361 | 285.6 |
[M+Na-2H]- | 745.10443 | 266.6 |
[M]+ | 724.12921 | 261.7 |
[M]- | 724.13031 | 261.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.