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 185.8
[M+Na]+ 379.16282 191.1
[M-H]- 355.16632 192.1
[M+NH4]+ 374.20742 195.2
[M+K]+ 395.13676 187.9
[M+H-H2O]+ 339.17086 174.5
[M+HCOO]- 401.17180 202.2
[M+CH3COO]- 415.18745 214.6
[M+Na-2H]- 377.14827 186.2
[M]+ 356.17305 186.7
[M]- 356.17415 186.7
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.