CID 3051377

1-(m-methylbenzyl)-4-(3,4,5-trimethoxybenzoylethyl)piperazine dihydrochloride

Structural Information

Molecular Formula
C24H32N2O4
SMILES
CC1=CC=C(C=C1)CN2CCN(CC2)CCC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C24H32N2O4/c1-18-5-7-19(8-6-18)17-26-13-11-25(12-14-26)10-9-21(27)20-15-22(28-2)24(30-4)23(16-20)29-3/h5-8,15-16H,9-14,17H2,1-4H3
InChIKey
KFOOHRBHRQKCSZ-UHFFFAOYSA-N
Compound name
3-[4-[(4-methylphenyl)methyl]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

412.2362 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.24348 203.5
[M+Na]+ 435.22542 216.7
[M+NH4]+ 430.27002 209.0
[M+K]+ 451.19936 209.1
[M-H]- 411.22892 207.7
[M+Na-2H]- 433.21087 209.7
[M]+ 412.23565 206.5
[M]- 412.23675 206.5
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.