CID 204677

1-(o-chlorophenyl)-4-(3,4,5-trimethoxybenzoylethyl)piperazine hydrochloride

Structural Information

Molecular Formula
C22H27ClN2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)CCN2CCN(CC2)C3=CC=CC=C3Cl
InChI
InChI=1S/C22H27ClN2O4/c1-27-20-14-16(15-21(28-2)22(20)29-3)19(26)8-9-24-10-12-25(13-11-24)18-7-5-4-6-17(18)23/h4-7,14-15H,8-13H2,1-3H3
InChIKey
JFYLIKLXKYQPAZ-UHFFFAOYSA-N
Compound name
3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.16592 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.17320 200.0
[M+Na]+ 441.15514 214.4
[M+NH4]+ 436.19974 206.1
[M+K]+ 457.12908 206.4
[M-H]- 417.15864 204.3
[M+Na-2H]- 439.14059 206.8
[M]+ 418.16537 203.5
[M]- 418.16647 203.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.