CID 506626

N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide

Structural Information

Molecular Formula
C13H13N3O3S
SMILES
C1=CC(=CN=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C13H13N3O3S/c14-20(18,19)12-5-3-10(4-6-12)8-16-13(17)11-2-1-7-15-9-11/h1-7,9H,8H2,(H,16,17)(H2,14,18,19)
InChIKey
LCPJBYTVGBDFPO-UHFFFAOYSA-N
Compound name
N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

291.06775 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.075026 163.5
[M+Na]+ 314.056968 170.5
[M-H]- 290.060474 168.5
[M+NH4]+ 309.101573 176.7
[M+K]+ 330.030908 165.8
[M+H-H2O]+ 274.065010 155.2
[M+HCOO]- 336.065951 181.6
[M+CH3COO]- 350.081601 200.4
[M+Na-2H]- 312.042416 168.4
[M]+ 291.06720142 163.6
[M]- 291.06829858 163.6
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

patents stripe