CID 3051109

Brn 0796273

Structural Information

Molecular Formula
C15H15N3O
SMILES
CCC1=CN=C(C=C1)C2=NC3=C(N2)C=C(C=C3)OC
InChI
InChI=1S/C15H15N3O/c1-3-10-4-6-13(16-9-10)15-17-12-7-5-11(19-2)8-14(12)18-15/h4-9H,3H2,1-2H3,(H,17,18)
InChIKey
SCXTXIYKMCAGRG-UHFFFAOYSA-N
Compound name
2-(5-ethylpyridin-2-yl)-6-methoxy-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

253.1215 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.12878 158.0
[M+Na]+ 276.11072 174.0
[M+NH4]+ 271.15532 166.1
[M+K]+ 292.08466 167.8
[M-H]- 252.11422 161.1
[M+Na-2H]- 274.09617 166.6
[M]+ 253.12095 161.2
[M]- 253.12205 161.2
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

No patent data available for this compound.