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

6
Patents

338.16306 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.170336 180.3
[M+Na]+ 361.152278 184.5
[M-H]- 337.155784 188.0
[M+NH4]+ 356.196883 189.9
[M+K]+ 377.126218 182.1
[M+H-H2O]+ 321.160320 169.9
[M+HCOO]- 383.161261 193.8
[M+CH3COO]- 397.176911 189.3
[M+Na-2H]- 359.137726 181.7
[M]+ 338.16251142 178.3
[M]- 338.16360858 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