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]+ 366.17000 191.8
[M+Na]+ 388.15194 195.6
[M-H]- 364.15544 200.8
[M+NH4]+ 383.19654 203.9
[M+K]+ 404.12588 194.4
[M+H-H2O]+ 348.15998 183.5
[M+HCOO]- 410.16092 211.5
[M+CH3COO]- 424.17657 219.2
[M+Na-2H]- 386.13739 192.9
[M]+ 365.16217 195.8
[M]- 365.16327 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.