CID 1916914

N-(alpha,beta-didehydro-n-(4-ethoxybenzoyl)phenylalanyl)glycine

Structural Information

Molecular Formula
C20H20N2O5
SMILES
CCOC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CC=C2)/C(=O)NCC(=O)O
InChI
InChI=1S/C20H20N2O5/c1-2-27-16-10-8-15(9-11-16)19(25)22-17(20(26)21-13-18(23)24)12-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,21,26)(H,22,25)(H,23,24)/b17-12+
InChIKey
XNSUWBKFOMBADR-SFQUDFHCSA-N
Compound name
2-[[(E)-2-[(4-ethoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1372 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.14448 187.2
[M+Na]+ 391.12642 195.4
[M+NH4]+ 386.17102 190.8
[M+K]+ 407.10036 191.3
[M-H]- 367.12992 188.6
[M+Na-2H]- 389.11187 191.7
[M]+ 368.13665 188.1
[M]- 368.13775 188.1
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.