CID 1916914

172798-53-7

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]+ 369.144476 186.8
[M+Na]+ 391.126418 188.9
[M-H]- 367.129924 191.1
[M+NH4]+ 386.171023 196.5
[M+K]+ 407.100358 186.0
[M+H-H2O]+ 351.134460 177.6
[M+HCOO]- 413.135401 207.4
[M+CH3COO]- 427.151051 217.9
[M+Na-2H]- 389.111866 186.7
[M]+ 368.13665142 186.5
[M]- 368.13774858 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.