CID 205316

1-benzyl-4-(3,4,5-trimethoxybenzoylethyl)piperazine dihydrochloride

Structural Information

Molecular Formula
C23H30N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)CCN2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C23H30N2O4/c1-27-21-15-19(16-22(28-2)23(21)29-3)20(26)9-10-24-11-13-25(14-12-24)17-18-7-5-4-6-8-18/h4-8,15-16H,9-14,17H2,1-3H3
InChIKey
XZYZWTQPLQOUFS-UHFFFAOYSA-N
Compound name
3-(4-benzylpiperazin-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

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.22783 198.8
[M+Na]+ 421.20977 202.5
[M-H]- 397.21327 204.4
[M+NH4]+ 416.25437 206.3
[M+K]+ 437.18371 198.7
[M+H-H2O]+ 381.21781 186.7
[M+HCOO]- 443.21875 214.1
[M+CH3COO]- 457.23440 224.0
[M+Na-2H]- 419.19522 197.5
[M]+ 398.22000 200.6
[M]- 398.22110 200.6
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.