CID 116820
70703-34-3
Structural Information
- Molecular Formula
- C22H16N2O6S
- SMILES
- C1=CC=C2C(=C1)C=CC(=C2CS(=O)(=O)O)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)O)O
- InChI
- InChI=1S/C22H16N2O6S/c25-21-17(22(26)27)11-14-6-2-4-8-16(14)20(21)24-23-19-10-9-13-5-1-3-7-15(13)18(19)12-31(28,29)30/h1-11,25H,12H2,(H,26,27)(H,28,29,30)
- InChIKey
- UFACMPQCFVIAMT-UHFFFAOYSA-N
- Compound name
- 3-hydroxy-4-[[1-(sulfomethyl)naphthalen-2-yl]diazenyl]naphthalene-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 437.08018 | 196.7 |
[M+Na]+ | 459.06212 | 204.9 |
[M-H]- | 435.06562 | 204.2 |
[M+NH4]+ | 454.10672 | 206.8 |
[M+K]+ | 475.03606 | 200.2 |
[M+H-H2O]+ | 419.07016 | 187.9 |
[M+HCOO]- | 481.07110 | 213.4 |
[M+CH3COO]- | 495.08675 | 229.9 |
[M+Na-2H]- | 457.04757 | 204.4 |
[M]+ | 436.07235 | 202.9 |
[M]- | 436.07345 | 202.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.