CID 3071503

137427-76-0

Structural Information

Molecular Formula

C₁₈H₂₅NO₂

SMILES

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

InChI

InChI=1S/C18H25NO2/c1-3-8-15(9-4-2)18(21)19-13-16(12-17(19)20)14-10-6-5-7-11-14/h5-7,10-11,15-16H,3-4,8-9,12-13H2,1-2H3

InChIKey

XJCMFNRCIUXOBH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 287.18854 Da
Monoisotopic Mass: 3.8
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]+	288.195816	171.8
[M+Na]+	310.177758	176.4
[M-H]-	286.181264	176.2
[M+NH4]+	305.222363	187.7
[M+K]+	326.151698	172.9
[M+H-H2O]+	270.185800	163.8
[M+HCOO]-	332.186741	190.2
[M+CH3COO]-	346.202391	202.9
[M+Na-2H]-	308.163206	169.4
[M]+	287.18799142	171.6
[M]-	287.18908858	171.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe