CID 162625092

4-((3,5-dimethylphenoxy)methyl)imidazolidin-2-one

Structural Information

Molecular Formula
C12H16N2O2
SMILES
CC1=CC(=CC(=C1)OCC2CNC(=O)N2)C
InChI
InChI=1S/C12H16N2O2/c1-8-3-9(2)5-11(4-8)16-7-10-6-13-12(15)14-10/h3-5,10H,6-7H2,1-2H3,(H2,13,14,15)
InChIKey
AFAOHQMUCWKPQN-UHFFFAOYSA-N
Compound name
4-[(3,5-dimethylphenoxy)methyl]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.12119 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.128466 150.5
[M+Na]+ 243.110408 158.0
[M-H]- 219.113914 151.9
[M+NH4]+ 238.155013 166.8
[M+K]+ 259.084348 153.6
[M+H-H2O]+ 203.118450 143.0
[M+HCOO]- 265.119391 168.4
[M+CH3COO]- 279.135041 183.6
[M+Na-2H]- 241.095856 151.9
[M]+ 220.12064142 147.4
[M]- 220.12173858 147.4
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.