CID 1753861

(z)-n-(2-(benzoylamino)-1-oxo-3-phenyl-2-propenyl)-beta-alanine

Structural Information

Molecular Formula
C19H18N2O4
SMILES
C1=CC=C(C=C1)/C=C(/C(=O)NCCC(=O)O)\NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H18N2O4/c22-17(23)11-12-20-19(25)16(13-14-7-3-1-4-8-14)21-18(24)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,20,25)(H,21,24)(H,22,23)/b16-13-
InChIKey
URSTUCYFNQKYKE-SSZFMOIBSA-N
Compound name
3-[[(Z)-2-benzamido-3-phenylprop-2-enoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.12665 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.13393 180.5
[M+Na]+ 361.11587 189.0
[M+NH4]+ 356.16047 184.9
[M+K]+ 377.08981 184.4
[M-H]- 337.11937 182.4
[M+Na-2H]- 359.10132 185.9
[M]+ 338.12610 181.7
[M]- 338.12720 181.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

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No patent data available for this compound.