CID 58638

19077-98-6

Structural Information

Molecular Formula
C13H13N3O3S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=N2
InChI
InChI=1S/C13H13N3O3S/c1-10(17)15-11-5-7-12(8-6-11)20(18,19)16-13-4-2-3-9-14-13/h2-9H,1H3,(H,14,16)(H,15,17)
InChIKey
CYLYVXPHAQLXFG-UHFFFAOYSA-N
Compound name
N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

17
References

14
Patents

291.06775 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.07503 162.9
[M+Na]+ 314.05697 173.9
[M+NH4]+ 309.10157 169.1
[M+K]+ 330.03091 167.0
[M-H]- 290.06047 165.7
[M+Na-2H]- 312.04242 170.8
[M]+ 291.06720 165.4
[M]- 291.06830 165.4
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