CID 4112211

537702-32-2

Structural Information

Molecular Formula
C15H14N2O
SMILES
CC(C1=CC=CC=C1)N2C3=CC=CC=C3NC2=O
InChI
InChI=1S/C15H14N2O/c1-11(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16-15(17)18/h2-11H,1H3,(H,16,18)
InChIKey
BRGWBLVOBBLKET-UHFFFAOYSA-N
Compound name
3-(1-phenylethyl)-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

11
Patents

238.11061 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.117886 152.5
[M+Na]+ 261.099828 162.4
[M-H]- 237.103334 156.9
[M+NH4]+ 256.144433 169.6
[M+K]+ 277.073768 156.7
[M+H-H2O]+ 221.107870 144.3
[M+HCOO]- 283.108811 173.8
[M+CH3COO]- 297.124461 165.1
[M+Na-2H]- 259.085276 158.2
[M]+ 238.11006142 153.0
[M]- 238.11115858 153.0
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

patents stripe