CID 28755

1-phenyl-4-(3,4,5-trimethoxybenzoyl)piperazine

Structural Information

Molecular Formula
C20H24N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C20H24N2O4/c1-24-17-13-15(14-18(25-2)19(17)26-3)20(23)22-11-9-21(10-12-22)16-7-5-4-6-8-16/h4-8,13-14H,9-12H2,1-3H3
InChIKey
TYBAPDCCMCKUPD-UHFFFAOYSA-N
Compound name
(4-phenylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.1736 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.18088 186.0
[M+Na]+ 379.16282 199.6
[M+NH4]+ 374.20742 192.2
[M+K]+ 395.13676 192.8
[M-H]- 355.16632 190.3
[M+Na-2H]- 377.14827 193.5
[M]+ 356.17305 189.0
[M]- 356.17415 189.0
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.