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 157.9
[M+Na]+ 276.11072 168.8
[M-H]- 252.11422 161.2
[M+NH4]+ 271.15532 173.4
[M+K]+ 292.08466 162.9
[M+H-H2O]+ 236.11876 148.8
[M+HCOO]- 298.11970 178.6
[M+CH3COO]- 312.13535 170.1
[M+Na-2H]- 274.09617 163.9
[M]+ 253.12095 160.5
[M]- 253.12205 160.5
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.