CID 57451

98897-31-5

Structural Information

Molecular Formula
C13H18N2O
SMILES
CC(C)CN1C(CNC1=O)C2=CC=CC=C2
InChI
InChI=1S/C13H18N2O/c1-10(2)9-15-12(8-14-13(15)16)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,14,16)
InChIKey
XMYJPBULCTUQQJ-UHFFFAOYSA-N
Compound name
1-(2-methylpropyl)-5-phenylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1419 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 151.7
[M+Na]+ 241.131118 158.0
[M-H]- 217.134624 154.0
[M+NH4]+ 236.175723 168.5
[M+K]+ 257.105058 154.2
[M+H-H2O]+ 201.139160 143.7
[M+HCOO]- 263.140101 169.6
[M+CH3COO]- 277.155751 186.7
[M+Na-2H]- 239.116566 152.5
[M]+ 218.14135142 148.3
[M]- 218.14244858 148.3
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.