CID 165677616

1-(2-phenylpropan-2-yl)-2,3-dihydro-1h-1,3-benzodiazol-2-one

Structural Information

Molecular Formula
C16H16N2O
SMILES
CC(C)(C1=CC=CC=C1)N2C3=CC=CC=C3NC2=O
InChI
InChI=1S/C16H16N2O/c1-16(2,12-8-4-3-5-9-12)18-14-11-7-6-10-13(14)17-15(18)19/h3-11H,1-2H3,(H,17,19)
InChIKey
SEQQAGXZEIPFMC-UHFFFAOYSA-N
Compound name
3-(2-phenylpropan-2-yl)-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12627 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.133546 158.3
[M+Na]+ 275.115488 168.6
[M-H]- 251.118994 162.9
[M+NH4]+ 270.160093 175.1
[M+K]+ 291.089428 162.6
[M+H-H2O]+ 235.123530 150.5
[M+HCOO]- 297.124471 178.6
[M+CH3COO]- 311.140121 170.7
[M+Na-2H]- 273.100936 165.4
[M]+ 252.12572142 159.3
[M]- 252.12681858 159.3
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.