CID 66545139

1-[(4-chlorophenyl)methyl]-5,5-dimethylimidazolidin-2-one

Structural Information

Molecular Formula
C12H15ClN2O
SMILES
CC1(CNC(=O)N1CC2=CC=C(C=C2)Cl)C
InChI
InChI=1S/C12H15ClN2O/c1-12(2)8-14-11(16)15(12)7-9-3-5-10(13)6-4-9/h3-6H,7-8H2,1-2H3,(H,14,16)
InChIKey
XUDCGBBALDNPIO-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-5,5-dimethylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0873 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09458 151.9
[M+Na]+ 261.07652 161.5
[M-H]- 237.08002 154.8
[M+NH4]+ 256.12112 171.1
[M+K]+ 277.05046 155.9
[M+H-H2O]+ 221.08456 145.3
[M+HCOO]- 283.08550 166.5
[M+CH3COO]- 297.10115 187.3
[M+Na-2H]- 259.06197 154.4
[M]+ 238.08675 151.3
[M]- 238.08785 151.3
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.