CID 459059

4-[(e)-(4-amino-3-methyl-1-naphthyl)azo]benzenesulfonic acid

Structural Information

Molecular Formula
C17H15N3O3S
SMILES
CC1=C(C2=CC=CC=C2C(=C1)N=NC3=CC=C(C=C3)S(=O)(=O)O)N
InChI
InChI=1S/C17H15N3O3S/c1-11-10-16(14-4-2-3-5-15(14)17(11)18)20-19-12-6-8-13(9-7-12)24(21,22)23/h2-10H,18H2,1H3,(H,21,22,23)
InChIKey
FPVNJLUFIBJOCR-UHFFFAOYSA-N
Compound name
4-[(4-amino-3-methylnaphthalen-1-yl)diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.0834 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.09068 175.7
[M+Na]+ 364.07262 184.6
[M-H]- 340.07612 184.7
[M+NH4]+ 359.11722 190.2
[M+K]+ 380.04656 179.6
[M+H-H2O]+ 324.08066 167.3
[M+HCOO]- 386.08160 196.9
[M+CH3COO]- 400.09725 218.0
[M+Na-2H]- 362.05807 182.4
[M]+ 341.08285 178.7
[M]- 341.08395 178.7
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.