CID 6445152

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

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]+ 397.21218 198.3
[M+Na]+ 419.19412 211.8
[M+NH4]+ 414.23872 203.8
[M+K]+ 435.16806 204.4
[M-H]- 395.19762 202.3
[M+Na-2H]- 417.17957 204.7
[M]+ 396.20435 201.2
[M]- 396.20545 201.2
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.