CID 710646

Benzoimidazol-1-yl-(4-methoxy-phenyl)-methanone

Structural Information

Molecular Formula
C15H12N2O2
SMILES
COC1=CC=C(C=C1)C(=O)N2C=NC3=CC=CC=C32
InChI
InChI=1S/C15H12N2O2/c1-19-12-8-6-11(7-9-12)15(18)17-10-16-13-4-2-3-5-14(13)17/h2-10H,1H3
InChIKey
KRIWMLYYGXHCKE-UHFFFAOYSA-N
Compound name
benzimidazol-1-yl-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

252.08987 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09715 155.3
[M+Na]+ 275.07909 165.6
[M-H]- 251.08259 161.2
[M+NH4]+ 270.12369 172.4
[M+K]+ 291.05303 161.3
[M+H-H2O]+ 235.08713 146.6
[M+HCOO]- 297.08807 178.3
[M+CH3COO]- 311.10372 168.4
[M+Na-2H]- 273.06454 161.4
[M]+ 252.08932 158.9
[M]- 252.09042 158.9
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.