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]+ 253.13355 158.3
[M+Na]+ 275.11549 168.6
[M-H]- 251.11899 162.9
[M+NH4]+ 270.16009 175.1
[M+K]+ 291.08943 162.6
[M+H-H2O]+ 235.12353 150.5
[M+HCOO]- 297.12447 178.6
[M+CH3COO]- 311.14012 170.7
[M+Na-2H]- 273.10094 165.4
[M]+ 252.12572 159.3
[M]- 252.12682 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.