CID 33957

Alpha-d2pv

Structural Information

Molecular Formula

C₁₈H₁₉NO

SMILES

C1CCN(C1)C(C2=CC=CC=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H19NO/c20-18(16-11-5-2-6-12-16)17(19-13-7-8-14-19)15-9-3-1-4-10-15/h1-6,9-12,17H,7-8,13-14H2

InChIKey

GQCCTZGWWWUYLS-UHFFFAOYSA-N

Compound name

1,2-diphenyl-2-pyrrolidin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 2
Patents: 265.14667 Da
Monoisotopic Mass: 3.9
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]+	266.153946	163.3
[M+Na]+	288.135888	166.9
[M-H]-	264.139394	170.6
[M+NH4]+	283.180493	178.9
[M+K]+	304.109828	162.8
[M+H-H2O]+	248.143930	154.1
[M+HCOO]-	310.144871	182.7
[M+CH3COO]-	324.160521	173.8
[M+Na-2H]-	286.121336	164.4
[M]+	265.14612142	159.0
[M]-	265.14721858	159.0

Literature stripe

literature stripe

Patent stripe

patents stripe