CID 6445152

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

Structural Information

Molecular Formula
C23H28N2O4
SMILES
CC1=CC=CC=C1N2CCN(CC2)C(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C23H28N2O4/c1-17-7-5-6-8-19(17)24-11-13-25(14-12-24)22(26)10-9-18-15-20(27-2)23(29-4)21(16-18)28-3/h5-10,15-16H,11-14H2,1-4H3/b10-9+
InChIKey
LOJBXQSFWPSCAZ-MDZDMXLPSA-N
Compound name
(E)-1-[4-(2-methylphenyl)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

396.2049 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.212176 198.3
[M+Na]+ 419.194118 203.5
[M-H]- 395.197624 204.5
[M+NH4]+ 414.238723 206.4
[M+K]+ 435.168058 199.1
[M+H-H2O]+ 379.202160 186.7
[M+HCOO]- 441.203101 213.9
[M+CH3COO]- 455.218751 223.4
[M+Na-2H]- 417.179566 196.4
[M]+ 396.20435142 199.8
[M]- 396.20544858 199.8
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.