CID 2843164

137427-79-3

Structural Information

Molecular Formula
C18H16ClNO3
SMILES
COC1=CC=C(C=C1)C(=O)N2CC(CC2=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H16ClNO3/c1-23-16-8-4-13(5-9-16)18(22)20-11-14(10-17(20)21)12-2-6-15(19)7-3-12/h2-9,14H,10-11H2,1H3
InChIKey
UGMOFEZUZCRWSE-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-1-(4-methoxybenzoyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

329.08188 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.08916 175.3
[M+Na]+ 352.07110 183.9
[M-H]- 328.07460 184.0
[M+NH4]+ 347.11570 190.4
[M+K]+ 368.04504 178.2
[M+H-H2O]+ 312.07914 167.1
[M+HCOO]- 374.08008 191.6
[M+CH3COO]- 388.09573 206.1
[M+Na-2H]- 350.05655 174.4
[M]+ 329.08133 177.5
[M]- 329.08243 177.5
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