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

2
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

patents stripe