CID 79947

5850-87-3

Structural Information

Molecular Formula
C17H14N2O4S
SMILES
CC1=C(C=CC(=C1)N=NC2=C(C=CC3=CC=CC=C32)O)S(=O)(=O)O
InChI
InChI=1S/C17H14N2O4S/c1-11-10-13(7-9-16(11)24(21,22)23)18-19-17-14-5-3-2-4-12(14)6-8-15(17)20/h2-10,20H,1H3,(H,21,22,23)
InChIKey
CVHRCIIWBOITNQ-UHFFFAOYSA-N
Compound name
4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

106
Patents

342.0674 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.07468 175.7
[M+Na]+ 365.05662 189.0
[M+NH4]+ 360.10122 183.0
[M+K]+ 381.03056 180.6
[M-H]- 341.06012 180.3
[M+Na-2H]- 363.04207 184.0
[M]+ 342.06685 179.4
[M]- 342.06795 179.4
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