CID 676245

84707-48-2

Structural Information

Molecular Formula
C20H22N2O3
SMILES
C1CN(CCN1CCC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4
InChI
InChI=1S/C20H22N2O3/c23-18(16-6-7-19-20(14-16)25-15-24-19)8-9-21-10-12-22(13-11-21)17-4-2-1-3-5-17/h1-7,14H,8-13,15H2
InChIKey
DPZDJGRIQFGMEL-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

338.16306 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.17034 180.3
[M+Na]+ 361.15228 184.5
[M-H]- 337.15578 188.0
[M+NH4]+ 356.19688 189.9
[M+K]+ 377.12622 182.1
[M+H-H2O]+ 321.16032 169.9
[M+HCOO]- 383.16126 193.8
[M+CH3COO]- 397.17691 189.3
[M+Na-2H]- 359.13773 181.7
[M]+ 338.16251 178.3
[M]- 338.16361 178.3
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

patents stripe