CID 57458

98917-93-2

Structural Information

Molecular Formula
C12H16N2O
SMILES
CCCN1C(CNC1=O)C2=CC=CC=C2
InChI
InChI=1S/C12H16N2O/c1-2-8-14-11(9-13-12(14)15)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,13,15)
InChIKey
QKTSNLALUDNEDA-UHFFFAOYSA-N
Compound name
5-phenyl-1-propylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.12627 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 146.9
[M+Na]+ 227.11549 154.0
[M-H]- 203.11899 149.3
[M+NH4]+ 222.16009 164.4
[M+K]+ 243.08943 150.0
[M+H-H2O]+ 187.12353 139.0
[M+HCOO]- 249.12447 166.2
[M+CH3COO]- 263.14012 182.8
[M+Na-2H]- 225.10094 149.5
[M]+ 204.12572 143.9
[M]- 204.12682 143.9
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.