CID 11277418

188116-08-7

Structural Information

Molecular Formula
C14H16ClN3O
SMILES
C1CCN(CC1)C2=NC(=O)N(C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H16ClN3O/c15-11-4-6-12(7-5-11)18-10-13(16-14(18)19)17-8-2-1-3-9-17/h4-7H,1-3,8-10H2
InChIKey
YGXIELIREXEJQN-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

54
Patents

277.09818 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.105456 164.7
[M+Na]+ 300.087398 172.1
[M-H]- 276.090904 169.5
[M+NH4]+ 295.132003 178.8
[M+K]+ 316.061338 166.3
[M+H-H2O]+ 260.095440 154.4
[M+HCOO]- 322.096381 176.9
[M+CH3COO]- 336.112031 174.9
[M+Na-2H]- 298.072846 165.1
[M]+ 277.09763142 161.3
[M]- 277.09872858 161.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe