CID 160668

3058-98-8

Structural Information

Molecular Formula
C23H19N3O6S2
SMILES
CC1=C(C=C(C=C1)N=NC2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)O)O)S(=O)(=O)NC4=CC=CC=C4
InChI
InChI=1S/C23H19N3O6S2/c1-15-11-12-17(13-21(15)33(28,29)26-16-7-3-2-4-8-16)24-25-20-14-22(34(30,31)32)18-9-5-6-10-19(18)23(20)27/h2-14,26-27H,1H3,(H,30,31,32)
InChIKey
CARXOCMBMQJMNE-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[[4-methyl-3-(phenylsulfamoyl)phenyl]diazenyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

612
Patents

497.07153 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.07881 209.3
[M+Na]+ 520.06075 220.9
[M+NH4]+ 515.10535 214.3
[M+K]+ 536.03469 212.0
[M-H]- 496.06425 214.7
[M+Na-2H]- 518.04620 218.7
[M]+ 497.07098 213.3
[M]- 497.07208 213.3
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

patents stripe