CID 6445512

Piperazine, 1-o-tolyl-4-(2-(3,4,5-trimethoxycinnamoyl)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C25H32N2O4
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCC(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C25H32N2O4/c1-19-7-5-6-8-22(19)27-15-13-26(14-16-27)12-11-21(28)10-9-20-17-23(29-2)25(31-4)24(18-20)30-3/h5-10,17-18H,11-16H2,1-4H3/b10-9+
InChIKey
DQBSMWYJYZGZLM-MDZDMXLPSA-N
Compound name
(E)-5-[4-(2-methylphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.2362 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.24348 206.8
[M+Na]+ 447.22542 211.0
[M-H]- 423.22892 212.5
[M+NH4]+ 442.27002 213.5
[M+K]+ 463.19936 206.1
[M+H-H2O]+ 407.23346 194.7
[M+HCOO]- 469.23440 221.6
[M+CH3COO]- 483.25005 229.8
[M+Na-2H]- 445.21087 203.8
[M]+ 424.23565 209.0
[M]- 424.23675 209.0
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.