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

15
Patents

288.06808 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07536 161.0
[M+Na]+ 311.05730 174.1
[M+NH4]+ 306.10190 167.8
[M+K]+ 327.03124 168.0
[M-H]- 287.06080 163.0
[M+Na-2H]- 309.04275 169.1
[M]+ 288.06753 163.8
[M]- 288.06863 163.8
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