CID 64853

Piperazine, 1-(o-chlorophenyl)-4-(3,4,5-trimethoxyhydrocinnamoyl)-

Structural Information

Molecular Formula
C22H27ClN2O4
SMILES
COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CCN(CC2)C3=CC=CC=C3Cl
InChI
InChI=1S/C22H27ClN2O4/c1-27-19-14-16(15-20(28-2)22(19)29-3)8-9-21(26)25-12-10-24(11-13-25)18-7-5-4-6-17(18)23/h4-7,14-15H,8-13H2,1-3H3
InChIKey
IOCVBHKQZLDERB-UHFFFAOYSA-N
Compound name
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
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 206.0
[M-H]- 417.15864 206.1
[M+NH4]+ 436.19974 208.1
[M+K]+ 457.12908 201.0
[M+H-H2O]+ 401.16318 188.9
[M+HCOO]- 463.16412 211.1
[M+CH3COO]- 477.17977 225.2
[M+Na-2H]- 439.14059 198.2
[M]+ 418.16537 204.2
[M]- 418.16647 204.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.