CID 1245700

774589-47-8

Structural Information

Molecular Formula
C20H20N2O4
SMILES
CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C20H20N2O4/c1-14(23)15-2-5-17(6-3-15)21-8-10-22(11-9-21)20(24)16-4-7-18-19(12-16)26-13-25-18/h2-7,12H,8-11,13H2,1H3
InChIKey
DMJGPASMZSNEAZ-UHFFFAOYSA-N
Compound name
1-[4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

352.1423 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14958 182.0
[M+Na]+ 375.13152 194.8
[M+NH4]+ 370.17612 188.5
[M+K]+ 391.10546 191.3
[M-H]- 351.13502 188.5
[M+Na-2H]- 373.11697 186.8
[M]+ 352.14175 185.5
[M]- 352.14285 185.5
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.