CID 200310

1507-62-6

Structural Information

Molecular Formula

C₂₃H₂₉NO₂

SMILES

CCCC1(CCN(C1)CCC(=O)C2=CC=CC=C2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C23H29NO2/c1-3-13-23(20-10-7-11-21(17-20)26-2)14-16-24(18-23)15-12-22(25)19-8-5-4-6-9-19/h4-11,17H,3,12-16,18H2,1-2H3

InChIKey

FWIUQXXTTYGPHG-UHFFFAOYSA-N

Compound name

3-[3-(3-methoxyphenyl)-3-propylpyrrolidin-1-yl]-1-phenylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 351.21982 Da
Monoisotopic Mass: 4.9
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]+	352.227096	188.5
[M+Na]+	374.209038	192.9
[M-H]-	350.212544	195.9
[M+NH4]+	369.253643	203.2
[M+K]+	390.182978	188.0
[M+H-H2O]+	334.217080	178.8
[M+HCOO]-	396.218021	207.4
[M+CH3COO]-	410.233671	213.7
[M+Na-2H]-	372.194486	187.8
[M]+	351.21927142	188.9
[M]-	351.22036858	188.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.