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 176.0
[M+Na]+ 347.13662 180.8
[M-H]- 323.14012 184.0
[M+NH4]+ 342.18122 186.4
[M+K]+ 363.11056 178.6
[M+H-H2O]+ 307.14466 165.9
[M+HCOO]- 369.14560 189.9
[M+CH3COO]- 383.16125 185.5
[M+Na-2H]- 345.12207 178.0
[M]+ 324.14685 173.6
[M]- 324.14795 173.6
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.