CID 3087601

N-(2-pyridinylmethyl)-1h-benzimidazole-2-sulfonamide

Structural Information

Molecular Formula
C13H12N4O2S
SMILES
C1=CC=C2C(=C1)NC(=N2)S(=O)(=O)NCC3=CC=CC=N3
InChI
InChI=1S/C13H12N4O2S/c18-20(19,15-9-10-5-3-4-8-14-10)13-16-11-6-1-2-7-12(11)17-13/h1-8,15H,9H2,(H,16,17)
InChIKey
XMJLTRUWMNFUOL-UHFFFAOYSA-N
Compound name
N-(pyridin-2-ylmethyl)-1H-benzimidazole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

288.06808 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.075356 162.1
[M+Na]+ 311.057298 172.6
[M-H]- 287.060804 165.6
[M+NH4]+ 306.101903 176.1
[M+K]+ 327.031238 166.4
[M+H-H2O]+ 271.065340 154.3
[M+HCOO]- 333.066281 178.9
[M+CH3COO]- 347.081931 173.5
[M+Na-2H]- 309.042746 169.7
[M]+ 288.06753142 164.6
[M]- 288.06862858 164.6
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