CID 49746

1h-benzimidazole, 2-(5-ethyl-2-pyridinyl)-

Structural Information

Molecular Formula
C14H13N3
SMILES
CCC1=CN=C(C=C1)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C14H13N3/c1-2-10-7-8-13(15-9-10)14-16-11-5-3-4-6-12(11)17-14/h3-9H,2H2,1H3,(H,16,17)
InChIKey
XOVPZXXZORJJCG-UHFFFAOYSA-N
Compound name
2-(5-ethylpyridin-2-yl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

56
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 149.6
[M+Na]+ 246.10017 160.2
[M-H]- 222.10367 152.6
[M+NH4]+ 241.14477 166.1
[M+K]+ 262.07411 153.9
[M+H-H2O]+ 206.10821 140.6
[M+HCOO]- 268.10915 170.5
[M+CH3COO]- 282.12480 162.0
[M+Na-2H]- 244.08562 156.9
[M]+ 223.11040 150.1
[M]- 223.11150 150.1
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