CID 3063695

101477-46-7

Structural Information

Molecular Formula

C₂₆H₂₉FN₂O₂

SMILES

COC1=CC(=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C26H29FN2O2/c1-30-24-13-10-22(25(18-24)31-2)19-28-14-16-29(17-15-28)26(20-6-4-3-5-7-20)21-8-11-23(27)12-9-21/h3-13,18,26H,14-17,19H2,1-2H3

InChIKey

WDSAQYLPSLIFIY-UHFFFAOYSA-N

Compound name

1-[(2,4-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)-phenylmethyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 420.2213 Da
Monoisotopic Mass: 4.8
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]+	421.228576	205.8
[M+Na]+	443.210518	209.5
[M-H]-	419.214024	212.8
[M+NH4]+	438.255123	211.7
[M+K]+	459.184458	202.9
[M+H-H2O]+	403.218560	191.4
[M+HCOO]-	465.219501	219.4
[M+CH3COO]-	479.235151	212.3
[M+Na-2H]-	441.195966	204.3
[M]+	420.22075142	202.5
[M]-	420.22184858	202.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe