CID 3082656

Cgp 29030a

Structural Information

Molecular Formula

C₂₁H₂₅ClN₂O₃

SMILES

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CCC3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C21H25ClN2O3/c1-26-19-13-17(14-20(15-19)27-2)21(25)24-11-9-23(10-12-24)8-7-16-3-5-18(22)6-4-16/h3-6,13-15H,7-12H2,1-2H3

InChIKey

YPLSFHBFZLTZQF-UHFFFAOYSA-N

Compound name

[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 388.15536 Da
Monoisotopic Mass: 3.7
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]+	389.162636	193.0
[M+Na]+	411.144578	198.8
[M-H]-	387.148084	198.9
[M+NH4]+	406.189183	202.1
[M+K]+	427.118518	193.1
[M+H-H2O]+	371.152620	182.0
[M+HCOO]-	433.153561	204.3
[M+CH3COO]-	447.169211	218.9
[M+Na-2H]-	409.130026	192.3
[M]+	388.15481142	195.0
[M]-	388.15590858	195.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe