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]+ 322.14378 178.1
[M+Na]+ 344.12572 181.8
[M-H]- 320.12922 183.5
[M+NH4]+ 339.17032 191.1
[M+K]+ 360.09966 176.8
[M+H-H2O]+ 304.13376 169.1
[M+HCOO]- 366.13470 200.9
[M+CH3COO]- 380.15035 206.8
[M+Na-2H]- 342.11117 180.8
[M]+ 321.13595 178.3
[M]- 321.13705 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.