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

17
Patents

238.11061 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11789 152.7
[M+Na]+ 261.09983 168.3
[M+NH4]+ 256.14443 161.3
[M+K]+ 277.07377 162.3
[M-H]- 237.10333 156.2
[M+Na-2H]- 259.08528 161.7
[M]+ 238.11006 156.0
[M]- 238.11116 156.0
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