CID 204682

Piperazine, 1-(o-tolyl)-4-(3,4,5-trimethoxybenzoylethyl)-, hydrochloride

Structural Information

Molecular Formula
C23H30N2O4
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C23H30N2O4/c1-17-7-5-6-8-19(17)25-13-11-24(12-14-25)10-9-20(26)18-15-21(27-2)23(29-4)22(16-18)28-3/h5-8,15-16H,9-14H2,1-4H3
InChIKey
IGNSNIIOJWBFTP-UHFFFAOYSA-N
Compound name
3-[4-(2-methylphenyl)piperazin-1-yl]-1-(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

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.227826 198.9
[M+Na]+ 421.209768 203.7
[M-H]- 397.213274 205.0
[M+NH4]+ 416.254373 206.8
[M+K]+ 437.183708 199.8
[M+H-H2O]+ 381.217810 187.2
[M+HCOO]- 443.218751 214.2
[M+CH3COO]- 457.234401 225.3
[M+Na-2H]- 419.195216 197.0
[M]+ 398.22000142 201.2
[M]- 398.22109858 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.