CID 5744284
Benzenesulfonic acid, 4-[2-[2,4-dihydroxy-3-(2-phenyldiazenyl)phenyl]diazenyl]-, sodium salt (1:1)
Structural Information
- Molecular Formula
- C18H14N4O5S
- SMILES
- C1=CC=C(C=C1)N/N=C/2\C(=O)C=C/C(=N/NC3=CC=C(C=C3)S(=O)(=O)O)/C2=O
- InChI
- InChI=1S/C18H14N4O5S/c23-16-11-10-15(18(24)17(16)22-20-12-4-2-1-3-5-12)21-19-13-6-8-14(9-7-13)28(25,26)27/h1-11,19-20H,(H,25,26,27)/b21-15-,22-17+
- InChIKey
- ZXHGYODRRIYZMN-CTZCZRIESA-N
- Compound name
- 4-[(2Z)-2-[(5E)-4,6-dioxo-5-(phenylhydrazinylidene)cyclohex-2-en-1-ylidene]hydrazinyl]benzenesulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 399.07576 | 188.2 |
[M+Na]+ | 421.05770 | 195.8 |
[M-H]- | 397.06120 | 199.7 |
[M+NH4]+ | 416.10230 | 198.3 |
[M+K]+ | 437.03164 | 190.5 |
[M+H-H2O]+ | 381.06574 | 177.8 |
[M+HCOO]- | 443.06668 | 212.8 |
[M+CH3COO]- | 457.08233 | 227.2 |
[M+Na-2H]- | 419.04315 | 195.5 |
[M]+ | 398.06793 | 190.6 |
[M]- | 398.06903 | 190.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.