CID 6449057

172798-51-5

Structural Information

Molecular Formula
C16H20N2O5
SMILES
CC(=O)N/C(=C\C1=CC=C(C=C1)OC)/C(=O)NCCCC(=O)O
InChI
InChI=1S/C16H20N2O5/c1-11(19)18-14(16(22)17-9-3-4-15(20)21)10-12-5-7-13(23-2)8-6-12/h5-8,10H,3-4,9H2,1-2H3,(H,17,22)(H,18,19)(H,20,21)/b14-10-
InChIKey
LFDJYSKWAKCDIQ-UVTDQMKNSA-N
Compound name
4-[[(Z)-2-acetamido-3-(4-methoxyphenyl)prop-2-enoyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1372 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.144476 175.3
[M+Na]+ 343.126418 178.2
[M-H]- 319.129924 176.7
[M+NH4]+ 338.171023 187.6
[M+K]+ 359.100358 176.5
[M+H-H2O]+ 303.134460 167.5
[M+HCOO]- 365.135401 195.9
[M+CH3COO]- 379.151051 209.9
[M+Na-2H]- 341.111866 174.5
[M]+ 320.13665142 176.2
[M]- 320.13774858 176.2
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.