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 180.1
[M+Na]+ 359.13662 184.8
[M-H]- 335.14012 187.9
[M+NH4]+ 354.18122 189.9
[M+K]+ 375.11056 181.8
[M+H-H2O]+ 319.14466 169.9
[M+HCOO]- 381.14560 193.8
[M+CH3COO]- 395.16125 189.2
[M+Na-2H]- 357.12207 181.5
[M]+ 336.14685 177.2
[M]- 336.14795 177.2
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.