CID 74764199

4-amino-n-quinoxalin-2-ylbenzenesulfonimidic acid

Structural Information

Molecular Formula
C14H12N4O2S
SMILES
C1=CC=C2C(=C1)N=CC(=N2)N=S(=O)(C3=CC=C(C=C3)N)O
InChI
InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18,19,20)
InChIKey
ICXXDWQQERMEHQ-UHFFFAOYSA-N
Compound name
4-amino-N-quinoxalin-2-ylbenzenesulfonimidic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.06808 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.075356 164.8
[M+Na]+ 323.057298 174.1
[M-H]- 299.060804 169.7
[M+NH4]+ 318.101903 177.8
[M+K]+ 339.031238 168.0
[M+H-H2O]+ 283.065340 156.2
[M+HCOO]- 345.066281 181.9
[M+CH3COO]- 359.081931 175.7
[M+Na-2H]- 321.042746 173.4
[M]+ 300.06753142 165.1
[M]- 300.06862858 165.1
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.