CID 3071504

137427-77-1

Structural Information

Molecular Formula

C₁₈H₂₄ClNO₂

SMILES

CCCC(CCC)C(=O)N1CC(CC1=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H24ClNO2/c1-3-5-14(6-4-2)18(22)20-12-15(11-17(20)21)13-7-9-16(19)10-8-13/h7-10,14-15H,3-6,11-12H2,1-2H3

InChIKey

WQICSWQEEGQPNO-UHFFFAOYSA-N

Compound name

4-(4-chlorophenyl)-1-(2-propylpentanoyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 321.14957 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	322.156846	178.3
[M+Na]+	344.138788	184.6
[M-H]-	320.142294	182.9
[M+NH4]+	339.183393	194.0
[M+K]+	360.112728	179.1
[M+H-H2O]+	304.146830	171.0
[M+HCOO]-	366.147771	192.1
[M+CH3COO]-	380.163421	207.7
[M+Na-2H]-	342.124236	174.7
[M]+	321.14902142	180.6
[M]-	321.15011858	180.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe