CID 6435365

4-ethoxycinnamic acid 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]+ 292.19072 172.3
[M+Na]+ 314.17266 176.8
[M-H]- 290.17616 176.3
[M+NH4]+ 309.21726 188.2
[M+K]+ 330.14660 175.2
[M+H-H2O]+ 274.18070 164.4
[M+HCOO]- 336.18164 195.8
[M+CH3COO]- 350.19729 208.7
[M+Na-2H]- 312.15811 173.8
[M]+ 291.18289 178.1
[M]- 291.18399 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.