CID 42553301

228111-37-3

Structural Information

Molecular Formula
C17H21N3O3
SMILES
CCOC(=O)N1CCC(CC1)N2C=C(NC2=O)C3=CC=CC=C3
InChI
InChI=1S/C17H21N3O3/c1-2-23-17(22)19-10-8-14(9-11-19)20-12-15(18-16(20)21)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,18,21)
InChIKey
RPAJKOOCLQUVJE-UHFFFAOYSA-N
Compound name
ethyl 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.1583 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.16558 174.7
[M+Na]+ 338.14752 180.5
[M-H]- 314.15102 178.8
[M+NH4]+ 333.19212 185.6
[M+K]+ 354.12146 175.7
[M+H-H2O]+ 298.15556 164.4
[M+HCOO]- 360.15650 190.3
[M+CH3COO]- 374.17215 201.2
[M+Na-2H]- 336.13297 174.0
[M]+ 315.15775 171.6
[M]- 315.15885 171.6
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.