CID 785836

1-(3-(1,3-benzodioxol-5-yl)acryloyl)-4-phenylpiperazine

Structural Information

Molecular Formula
C20H20N2O3
SMILES
C1CN(CCN1C2=CC=CC=C2)C(=O)/C=C/C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C20H20N2O3/c23-20(9-7-16-6-8-18-19(14-16)25-15-24-18)22-12-10-21(11-13-22)17-4-2-1-3-5-17/h1-9,14H,10-13,15H2/b9-7+
InChIKey
JLYNFGCGJVUQLS-VQHVLOKHSA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.1474 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.15468 180.2
[M+Na]+ 359.13662 193.6
[M+NH4]+ 354.18122 187.5
[M+K]+ 375.11056 188.4
[M-H]- 335.14012 187.3
[M+Na-2H]- 357.12207 185.9
[M]+ 336.14685 184.0
[M]- 336.14795 184.0
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

No patent data available for this compound.