CID 66568

85-77-8

Structural Information

Molecular Formula
C16H14N4O3S
SMILES
C1=CC(=CC=C1N)N=NC2=C3C=C(C=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)13-6-5-12(9-14(13)16)24(21,22)23/h1-9H,17-18H2,(H,21,22,23)
InChIKey
ICZLQBIBMJQZRI-UHFFFAOYSA-N
Compound name
5-amino-8-[(4-aminophenyl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
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 173.8
[M+Na]+ 365.06789 182.2
[M-H]- 341.07139 182.1
[M+NH4]+ 360.11249 187.5
[M+K]+ 381.04183 177.1
[M+H-H2O]+ 325.07593 165.3
[M+HCOO]- 387.07687 195.6
[M+CH3COO]- 401.09252 220.0
[M+Na-2H]- 363.05334 180.8
[M]+ 342.07812 174.8
[M]- 342.07922 174.8
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.