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 162.1
[M+Na]+ 311.05730 172.6
[M-H]- 287.06080 165.6
[M+NH4]+ 306.10190 176.1
[M+K]+ 327.03124 166.4
[M+H-H2O]+ 271.06534 154.3
[M+HCOO]- 333.06628 178.9
[M+CH3COO]- 347.08193 173.5
[M+Na-2H]- 309.04275 169.7
[M]+ 288.06753 164.6
[M]- 288.06863 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