CID 215456

35706-80-0

Structural Information

Molecular Formula

C₂₂H₂₉NO₃

SMILES

CC(CN1CCCC1)C(C2=CC=CC=C2OC)(C3=CC=CC=C3OC)O

InChI

InChI=1S/C22H29NO3/c1-17(16-23-14-8-9-15-23)22(24,18-10-4-6-12-20(18)25-2)19-11-5-7-13-21(19)26-3/h4-7,10-13,17,24H,8-9,14-16H2,1-3H3

InChIKey

CHGPLODXERNHAE-UHFFFAOYSA-N

Compound name

1,1-bis(2-methoxyphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 355.21475 Da
Monoisotopic Mass: 3.8
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]+	356.222026	187.9
[M+Na]+	378.203968	191.2
[M-H]-	354.207474	194.1
[M+NH4]+	373.248573	199.8
[M+K]+	394.177908	187.3
[M+H-H2O]+	338.212010	178.9
[M+HCOO]-	400.212951	203.9
[M+CH3COO]-	414.228601	212.0
[M+Na-2H]-	376.189416	187.5
[M]+	355.21420142	187.6
[M]-	355.21529858	187.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.