CID 214738

34067-03-3

Structural Information

Molecular Formula

C₂₁H₂₅NO

SMILES

CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N3CCCC3C

InChI

InChI=1S/C21H25NO/c1-3-21(18-12-6-4-7-13-18,19-14-8-5-9-15-19)20(23)22-16-10-11-17(22)2/h4-9,12-15,17H,3,10-11,16H2,1-2H3

InChIKey

DWIZRPDYYVIEIV-UHFFFAOYSA-N

Compound name

1-(2-methylpyrrolidin-1-yl)-2,2-diphenylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 307.1936 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]+	308.200876	176.6
[M+Na]+	330.182818	180.6
[M-H]-	306.186324	184.0
[M+NH4]+	325.227423	191.1
[M+K]+	346.156758	175.8
[M+H-H2O]+	290.190860	167.6
[M+HCOO]-	352.191801	194.3
[M+CH3COO]-	366.207451	204.9
[M+Na-2H]-	328.168266	177.4
[M]+	307.19305142	173.7
[M]-	307.19414858	173.7

Literature stripe

literature stripe

Patent stripe

patents stripe