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
5
Annotation Hits

17
References

24
Patents

291.06775 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.075026 163.2
[M+Na]+ 314.056968 170.1
[M-H]- 290.060474 168.7
[M+NH4]+ 309.101573 176.7
[M+K]+ 330.030908 165.8
[M+H-H2O]+ 274.065010 154.8
[M+HCOO]- 336.065951 182.0
[M+CH3COO]- 350.081601 200.9
[M+Na-2H]- 312.042416 169.1
[M]+ 291.06720142 164.3
[M]- 291.06829858 164.3
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