CID 6435365

Cinnamic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester

Structural Information

Molecular Formula
C17H25NO3
SMILES
CCN(CC)CCOC(=O)/C=C/C1=CC=C(C=C1)OCC
InChI
InChI=1S/C17H25NO3/c1-4-18(5-2)13-14-21-17(19)12-9-15-7-10-16(11-8-15)20-6-3/h7-12H,4-6,13-14H2,1-3H3/b12-9+
InChIKey
HVJDAMRDBOQCNZ-FMIVXFBMSA-N
Compound name
2-(diethylamino)ethyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.18344 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.190716 172.3
[M+Na]+ 314.172658 176.8
[M-H]- 290.176164 176.3
[M+NH4]+ 309.217263 188.2
[M+K]+ 330.146598 175.2
[M+H-H2O]+ 274.180700 164.4
[M+HCOO]- 336.181641 195.8
[M+CH3COO]- 350.197291 208.7
[M+Na-2H]- 312.158106 173.8
[M]+ 291.18289142 178.1
[M]- 291.18398858 178.1
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.