CID 6449056

172798-50-4

Structural Information

Molecular Formula
C15H18N2O5
SMILES
CC(=O)N/C(=C\C1=CC=C(C=C1)OC)/C(=O)NCCC(=O)O
InChI
InChI=1S/C15H18N2O5/c1-10(18)17-13(15(21)16-8-7-14(19)20)9-11-3-5-12(22-2)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,16,21)(H,17,18)(H,19,20)/b13-9-
InChIKey
XBJBLALDXSAKCQ-LCYFTJDESA-N
Compound name
3-[[(Z)-2-acetamido-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.12158 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12886 171.2
[M+Na]+ 329.11080 177.5
[M+NH4]+ 324.15540 174.4
[M+K]+ 345.08474 175.0
[M-H]- 305.11430 169.8
[M+Na-2H]- 327.09625 172.7
[M]+ 306.12103 170.9
[M]- 306.12213 170.9
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.