CID 95887

6632-67-3

Structural Information

Molecular Formula
C16H14N4O3S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2
InChI
InChI=1S/C16H14N4O3S/c1-11(21)18-12-6-8-13(9-7-12)24(22,23)20-16-10-17-14-4-2-3-5-15(14)19-16/h2-10H,1H3,(H,18,21)(H,19,20)
InChIKey
HQOJTUJGZNGEJL-UHFFFAOYSA-N
Compound name
N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

342.07867 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.08595 175.5
[M+Na]+ 365.06789 183.3
[M-H]- 341.07139 180.5
[M+NH4]+ 360.11249 186.6
[M+K]+ 381.04183 177.9
[M+H-H2O]+ 325.07593 166.4
[M+HCOO]- 387.07687 191.8
[M+CH3COO]- 401.09252 211.8
[M+Na-2H]- 363.05334 183.3
[M]+ 342.07812 177.5
[M]- 342.07922 177.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe