CID 165831
10142-78-6
Structural Information
- Molecular Formula
- C37H27N5O6S2
- SMILES
- CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=CC=C(C5=CC=CC=C54)N=NC6=CC=CC7=C6C=CC=C7S(=O)(=O)O)C=CC=C3S(=O)(=O)O
- InChI
- InChI=1S/C37H27N5O6S2/c1-23-15-17-24(18-16-23)38-34-22-21-33(29-11-6-14-36(37(29)34)50(46,47)48)42-41-32-20-19-31(25-7-2-3-8-26(25)32)40-39-30-12-4-10-28-27(30)9-5-13-35(28)49(43,44)45/h2-22,38H,1H3,(H,43,44,45)(H,46,47,48)
- InChIKey
- QRMSVCFDFPPJEU-UHFFFAOYSA-N
- Compound name
- 8-(4-methylanilino)-5-[[4-[(5-sulfonaphthalen-1-yl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 702.14754 | 253.2 |
[M+Na]+ | 724.12948 | 258.3 |
[M-H]- | 700.13298 | 266.9 |
[M+NH4]+ | 719.17408 | 253.0 |
[M+K]+ | 740.10342 | 253.8 |
[M+H-H2O]+ | 684.13752 | 239.6 |
[M+HCOO]- | 746.13846 | 267.2 |
[M+CH3COO]- | 760.15411 | 257.4 |
[M+Na-2H]- | 722.11493 | 268.3 |
[M]+ | 701.13971 | 260.0 |
[M]- | 701.14081 | 260.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.