CID 1164543

23776-38-7

Structural Information

Molecular Formula
C23H28N2O5
SMILES
COC1=CC=CC=C1N2CCN(CC2)C(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C23H28N2O5/c1-27-19-8-6-5-7-18(19)24-11-13-25(14-12-24)22(26)10-9-17-15-20(28-2)23(30-4)21(16-17)29-3/h5-10,15-16H,11-14H2,1-4H3/b10-9+
InChIKey
PWRCUHCOVBDREG-MDZDMXLPSA-N
Compound name
(E)-1-[4-(2-methoxyphenyl)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

412.19983 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.207106 200.9
[M+Na]+ 435.189048 205.8
[M-H]- 411.192554 207.0
[M+NH4]+ 430.233653 208.1
[M+K]+ 451.162988 202.2
[M+H-H2O]+ 395.197090 189.0
[M+HCOO]- 457.198031 216.6
[M+CH3COO]- 471.213681 225.5
[M+Na-2H]- 433.174496 199.1
[M]+ 412.19928142 203.7
[M]- 412.20037858 203.7
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.