CID 64855

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

Structural Information

Molecular Formula
C23H30N2O4
SMILES
CC1=CC=CC=C1N2CCN(CC2)C(=O)CCC3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C23H30N2O4/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/h5-8,15-16H,9-14H2,1-4H3
InChIKey
KRLUVMAADGHSDZ-UHFFFAOYSA-N
Compound name
1-[4-(2-methylphenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.22055 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.22783 199.2
[M+Na]+ 421.20977 204.1
[M-H]- 397.21327 205.4
[M+NH4]+ 416.25437 207.2
[M+K]+ 437.18371 200.3
[M+H-H2O]+ 381.21781 187.5
[M+HCOO]- 443.21875 214.6
[M+CH3COO]- 457.23440 224.7
[M+Na-2H]- 419.19522 197.3
[M]+ 398.22000 201.5
[M]- 398.22110 201.5
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.