CID 49774126

[2-(2-methoxyphenyl)benzimidazol-1-yl]-(4-pyridyl)methanone

Structural Information

Molecular Formula
C20H15N3O2
SMILES
COC1=CC=CC=C1C2=NC3=CC=CC=C3N2C(=O)C4=CC=NC=C4
InChI
InChI=1S/C20H15N3O2/c1-25-18-9-5-2-6-15(18)19-22-16-7-3-4-8-17(16)23(19)20(24)14-10-12-21-13-11-14/h2-13H,1H3
InChIKey
LYARWPKQHCHJJF-UHFFFAOYSA-N
Compound name
[2-(2-methoxyphenyl)benzimidazol-1-yl]-pyridin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.11642 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12370 177.6
[M+Na]+ 352.10564 187.6
[M-H]- 328.10914 185.2
[M+NH4]+ 347.15024 189.6
[M+K]+ 368.07958 181.3
[M+H-H2O]+ 312.11368 166.4
[M+HCOO]- 374.11462 198.4
[M+CH3COO]- 388.13027 188.7
[M+Na-2H]- 350.09109 182.4
[M]+ 329.11587 180.8
[M]- 329.11697 180.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.