CID 66565

85-67-6

Structural Information

Molecular Formula
C16H14N4O3S
SMILES
C1=CC(=CC=C1N)N=NC2=C3C=CC(=CC3=C(C=C2)N)S(=O)(=O)O
InChI
InChI=1S/C16H14N4O3S/c17-10-1-3-11(4-2-10)19-20-16-8-7-15(18)14-9-12(24(21,22)23)5-6-13(14)16/h1-9H,17-18H2,(H,21,22,23)
InChIKey
PUFPLSIDSWPRQM-UHFFFAOYSA-N
Compound name
8-amino-5-[(4-aminophenyl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

342.07867 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.08595 174.8
[M+Na]+ 365.06789 186.1
[M+NH4]+ 360.11249 181.7
[M+K]+ 381.04183 178.5
[M-H]- 341.07139 180.5
[M+Na-2H]- 363.05334 182.8
[M]+ 342.07812 178.3
[M]- 342.07922 178.3
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

No patent data available for this compound.