CID 106421

68039-07-6

Structural Information

Molecular Formula
C23H18N4O4S
SMILES
CC1=C(C=CC(=C1)O)N=NC2=C3C=CC(=CC3=C(C=C2)N=NC4=CC=CC=C4)S(=O)(=O)O
InChI
InChI=1S/C23H18N4O4S/c1-15-13-17(28)7-10-21(15)25-27-22-11-12-23(26-24-16-5-3-2-4-6-16)20-14-18(32(29,30)31)8-9-19(20)22/h2-14,28H,1H3,(H,29,30,31)
InChIKey
JFYPUQQMJDWAOH-UHFFFAOYSA-N
Compound name
5-[(4-hydroxy-2-methylphenyl)diazenyl]-8-phenyldiazenylnaphthalene-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 202.9
[M+Na]+ 469.09412 216.7
[M+NH4]+ 464.13872 209.6
[M+K]+ 485.06806 206.9
[M-H]- 445.09762 211.4
[M+Na-2H]- 467.07957 214.1
[M]+ 446.10435 207.8
[M]- 446.10545 207.8
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.