CID 96733

6504-09-2

Structural Information

Molecular Formula
C13H11N3
SMILES
CC1=NC(=CC=C1)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C13H11N3/c1-9-5-4-8-12(14-9)13-15-10-6-2-3-7-11(10)16-13/h2-8H,1H3,(H,15,16)
InChIKey
XTCNWAFKRSFAFZ-UHFFFAOYSA-N
Compound name
2-(6-methylpyridin-2-yl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

209.09529 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.10257 145.0
[M+Na]+ 232.08451 156.1
[M-H]- 208.08801 148.2
[M+NH4]+ 227.12911 162.1
[M+K]+ 248.05845 150.0
[M+H-H2O]+ 192.09255 136.3
[M+HCOO]- 254.09349 166.3
[M+CH3COO]- 268.10914 157.9
[M+Na-2H]- 230.06996 152.9
[M]+ 209.09474 145.2
[M]- 209.09584 145.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe