CID 6445151

1-(o-chlorophenyl)-4-(3,4,5-trimethoxycinnamoyl)-piperazine

Structural Information

Molecular Formula
C22H25ClN2O4
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCN(CC2)C3=CC=CC=C3Cl
InChI
InChI=1S/C22H25ClN2O4/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/h4-9,14-15H,10-13H2,1-3H3/b9-8+
InChIKey
HQQXOTUNEVRKGO-CMDGGOBGSA-N
Compound name
(E)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.1503 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.15758 199.3
[M+Na]+ 439.13952 205.7
[M-H]- 415.14302 205.5
[M+NH4]+ 434.18412 207.5
[M+K]+ 455.11346 200.1
[M+H-H2O]+ 399.14756 188.3
[M+HCOO]- 461.14850 210.6
[M+CH3COO]- 475.16415 223.9
[M+Na-2H]- 437.12497 197.5
[M]+ 416.14975 202.7
[M]- 416.15085 202.7
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.