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]+ 253.097146 155.3
[M+Na]+ 275.079088 165.6
[M-H]- 251.082594 161.2
[M+NH4]+ 270.123693 172.4
[M+K]+ 291.053028 161.3
[M+H-H2O]+ 235.087130 146.6
[M+HCOO]- 297.088071 178.3
[M+CH3COO]- 311.103721 168.4
[M+Na-2H]- 273.064536 161.4
[M]+ 252.08932142 158.9
[M]- 252.09041858 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.