CID 207584

30223-75-7

Structural Information

Molecular Formula

C₁₈H₁₉NO

SMILES

CC1CC(C(=O)N1C)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H19NO/c1-14-13-18(17(20)19(14)2,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3

InChIKey

XAVFJHLZSOZVHD-UHFFFAOYSA-N

Compound name

1,5-dimethyl-3,3-diphenylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 12
Patents: 265.14667 Da
Monoisotopic Mass: 3.4
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]+	266.153946	162.0
[M+Na]+	288.135888	170.2
[M-H]-	264.139394	170.8
[M+NH4]+	283.180493	180.9
[M+K]+	304.109828	165.2
[M+H-H2O]+	248.143930	153.6
[M+HCOO]-	310.144871	183.5
[M+CH3COO]-	324.160521	174.4
[M+Na-2H]-	286.121336	164.5
[M]+	265.14612142	160.4
[M]-	265.14721858	160.4

Literature stripe

literature stripe

Patent stripe

patents stripe