CID 49748

67273-47-6

Structural Information

Molecular Formula
C14H13N3
SMILES
CC1=CC2=C(C=C1)N=C(N2)C3=CC=CC(=N3)C
InChI
InChI=1S/C14H13N3/c1-9-6-7-11-13(8-9)17-14(16-11)12-5-3-4-10(2)15-12/h3-8H,1-2H3,(H,16,17)
InChIKey
OKHWNVWJPUHVKZ-UHFFFAOYSA-N
Compound name
6-methyl-2-(6-methylpyridin-2-yl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

223.11095 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.11823 150.1
[M+Na]+ 246.10017 161.7
[M-H]- 222.10367 153.5
[M+NH4]+ 241.14477 167.0
[M+K]+ 262.07411 155.4
[M+H-H2O]+ 206.10821 141.5
[M+HCOO]- 268.10915 171.0
[M+CH3COO]- 282.12480 162.9
[M+Na-2H]- 244.08562 156.7
[M]+ 223.11040 151.1
[M]- 223.11150 151.1
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