CID 136075764

84732-33-2

Structural Information

Molecular Formula
C23H18N4O4S
SMILES
CC1=CC(=CC=C1)N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=CC=C(C=C4)O)S(=O)(=O)O
InChI
InChI=1S/C23H18N4O4S/c1-15-3-2-4-17(13-15)25-27-23-12-11-22(26-24-16-5-7-18(28)8-6-16)20-10-9-19(14-21(20)23)32(29,30)31/h2-14,28H,1H3,(H,29,30,31)
InChIKey
WYLMUSHEMRZZRR-UHFFFAOYSA-N
Compound name
5-[(4-hydroxyphenyl)diazenyl]-8-[(3-methylphenyl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

446.1049 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.11218 203.0
[M+Na]+ 469.09412 210.7
[M-H]- 445.09762 216.1
[M+NH4]+ 464.13872 213.0
[M+K]+ 485.06806 205.8
[M+H-H2O]+ 429.10216 191.8
[M+HCOO]- 491.10310 226.5
[M+CH3COO]- 505.11875 242.0
[M+Na-2H]- 467.07957 211.2
[M]+ 446.10435 208.1
[M]- 446.10545 208.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.