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]+ 357.180876 185.8
[M+Na]+ 379.162818 191.1
[M-H]- 355.166324 192.1
[M+NH4]+ 374.207423 195.2
[M+K]+ 395.136758 187.9
[M+H-H2O]+ 339.170860 174.5
[M+HCOO]- 401.171801 202.2
[M+CH3COO]- 415.187451 214.6
[M+Na-2H]- 377.148266 186.2
[M]+ 356.17305142 186.7
[M]- 356.17414858 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.