CID 786430

64262-98-2

Structural Information

Molecular Formula
C13H11N3
SMILES
CN1C2=CC=CC=C2N=C1C3=CC=NC=C3
InChI
InChI=1S/C13H11N3/c1-16-12-5-3-2-4-11(12)15-13(16)10-6-8-14-9-7-10/h2-9H,1H3
InChIKey
JFHRYURGMJNMJG-UHFFFAOYSA-N
Compound name
1-methyl-2-pyridin-4-ylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

109
Patents

209.09529 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.102566 144.7
[M+Na]+ 232.084508 156.2
[M-H]- 208.088014 149.2
[M+NH4]+ 227.129113 162.5
[M+K]+ 248.058448 151.0
[M+H-H2O]+ 192.092550 135.6
[M+HCOO]- 254.093491 167.4
[M+CH3COO]- 268.109141 158.3
[M+Na-2H]- 230.069956 153.0
[M]+ 209.09474142 146.7
[M]- 209.09583858 146.7
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