CID 201764

Piperazine, 1-benzoyl-4-piperonyl-

Structural Information

Molecular Formula
C19H20N2O3
SMILES
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C19H20N2O3/c22-19(16-4-2-1-3-5-16)21-10-8-20(9-11-21)13-15-6-7-17-18(12-15)24-14-23-17/h1-7,12H,8-11,13-14H2
InChIKey
UOCSDUJWVPJYLB-UHFFFAOYSA-N
Compound name
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

324.1474 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15468 176.5
[M+Na]+ 347.13662 190.0
[M+NH4]+ 342.18122 184.2
[M+K]+ 363.11056 185.2
[M-H]- 323.14012 183.9
[M+Na-2H]- 345.12207 182.6
[M]+ 324.14685 180.5
[M]- 324.14795 180.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.