CID 3077947

Brn 4764515

Structural Information

Molecular Formula

C₂₂H₂₅NO₃

SMILES

CCCCCOC1CCC(=O)N1C(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO3/c1-2-3-7-16-26-21-15-14-20(24)23(21)22(25)19-12-10-18(11-13-19)17-8-5-4-6-9-17/h4-6,8-13,21H,2-3,7,14-16H2,1H3

InChIKey

ARUVDDXNSZHSQK-UHFFFAOYSA-N

Compound name

5-pentoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 351.18344 Da
Monoisotopic Mass: 4.7
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]+	352.190716	186.3
[M+Na]+	374.172658	191.3
[M-H]-	350.176164	194.0
[M+NH4]+	369.217263	199.2
[M+K]+	390.146598	186.5
[M+H-H2O]+	334.180700	176.6
[M+HCOO]-	396.181641	205.9
[M+CH3COO]-	410.197291	213.1
[M+Na-2H]-	372.158106	184.5
[M]+	351.18289142	187.2
[M]-	351.18398858	187.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe