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 186.8
[M+Na]+ 391.12642 188.9
[M-H]- 367.12992 191.1
[M+NH4]+ 386.17102 196.5
[M+K]+ 407.10036 186.0
[M+H-H2O]+ 351.13446 177.6
[M+HCOO]- 413.13540 207.4
[M+CH3COO]- 427.15105 217.9
[M+Na-2H]- 389.11187 186.7
[M]+ 368.13665 186.5
[M]- 368.13775 186.5
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.