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

8
Patents

291.06775 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.07503 163.5
[M+Na]+ 314.05697 170.5
[M-H]- 290.06047 168.5
[M+NH4]+ 309.10157 176.7
[M+K]+ 330.03091 165.8
[M+H-H2O]+ 274.06501 155.2
[M+HCOO]- 336.06595 181.6
[M+CH3COO]- 350.08160 200.4
[M+Na-2H]- 312.04242 168.4
[M]+ 291.06720 163.6
[M]- 291.06830 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

No patent data available for this compound.