CID 6434370

Cinnamic acid, 2-cinnamamidoethyl ester

Structural Information

Molecular Formula
C20H19NO3
SMILES
C1=CC=C(C=C1)/C=C/C(=O)NCCOC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C20H19NO3/c22-19(13-11-17-7-3-1-4-8-17)21-15-16-24-20(23)14-12-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,21,22)/b13-11+,14-12+
InChIKey
QMOVVLYBZSQZKG-PHEQNACWSA-N
Compound name
2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1365 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.143776 178.1
[M+Na]+ 344.125718 181.8
[M-H]- 320.129224 183.5
[M+NH4]+ 339.170323 191.1
[M+K]+ 360.099658 176.8
[M+H-H2O]+ 304.133760 169.1
[M+HCOO]- 366.134701 200.9
[M+CH3COO]- 380.150351 206.8
[M+Na-2H]- 342.111166 180.8
[M]+ 321.13595142 178.3
[M]- 321.13704858 178.3
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.