CID 6446866

Piperic acid, (2-(dimethylamino)-1-phenyl)ethyl ester

Structural Information

Molecular Formula
C22H23NO4
SMILES
CN(C)CC(C1=CC=CC=C1)OC(=O)/C=C/C=C/C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C22H23NO4/c1-23(2)15-21(18-9-4-3-5-10-18)27-22(24)11-7-6-8-17-12-13-19-20(14-17)26-16-25-19/h3-14,21H,15-16H2,1-2H3/b8-6+,11-7+
InChIKey
RNOAWLFRSHTLIJ-JMFBPXTISA-N
Compound name
[2-(dimethylamino)-1-phenylethyl] (2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.16272 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.169996 191.8
[M+Na]+ 388.151938 195.6
[M-H]- 364.155444 200.8
[M+NH4]+ 383.196543 203.9
[M+K]+ 404.125878 194.4
[M+H-H2O]+ 348.159980 183.5
[M+HCOO]- 410.160921 211.5
[M+CH3COO]- 424.176571 219.2
[M+Na-2H]- 386.137386 192.9
[M]+ 365.16217142 195.8
[M]- 365.16326858 195.8
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.