CID 6449054

N-(2-(acetylamino)-1-oxo-3-phenyl-2-propenyl)beta-alanine

Structural Information

Molecular Formula
C14H16N2O4
SMILES
CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)NCCC(=O)O
InChI
InChI=1S/C14H16N2O4/c1-10(17)16-12(9-11-5-3-2-4-6-11)14(20)15-8-7-13(18)19/h2-6,9H,7-8H2,1H3,(H,15,20)(H,16,17)(H,18,19)/b12-9-
InChIKey
HBRIEWKCLCBIIL-XFXZXTDPSA-N
Compound name
3-[[(Z)-2-acetamido-3-phenylprop-2-enoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.111 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11828 164.6
[M+Na]+ 299.10022 171.3
[M+NH4]+ 294.14482 168.6
[M+K]+ 315.07416 168.2
[M-H]- 275.10372 163.7
[M+Na-2H]- 297.08567 167.0
[M]+ 276.11045 164.5
[M]- 276.11155 164.5
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.