CID 6449064

Beta-alanine, n-(2-((4-ethoxybenzoyl)amino)-1-oxo-3-phenyl-2-propenyl)-, ethyl ester

Structural Information

Molecular Formula
C23H26N2O5
SMILES
CCOC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CC=C2)/C(=O)NCCC(=O)OCC
InChI
InChI=1S/C23H26N2O5/c1-3-29-19-12-10-18(11-13-19)22(27)25-20(16-17-8-6-5-7-9-17)23(28)24-15-14-21(26)30-4-2/h5-13,16H,3-4,14-15H2,1-2H3,(H,24,28)(H,25,27)/b20-16-
InChIKey
FWGADZIZUNJCAU-SILNSSARSA-N
Compound name
ethyl 3-[[(Z)-2-[(4-ethoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.18417 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.19145 200.0
[M+Na]+ 433.17339 208.1
[M+NH4]+ 428.21799 203.4
[M+K]+ 449.14733 202.9
[M-H]- 409.17689 201.8
[M+Na-2H]- 431.15884 204.4
[M]+ 410.18362 201.0
[M]- 410.18472 201.0
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.