CID 1753861

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

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]+ 339.133926 179.9
[M+Na]+ 361.115868 181.7
[M-H]- 337.119374 184.1
[M+NH4]+ 356.160473 190.6
[M+K]+ 377.089808 178.2
[M+H-H2O]+ 321.123910 170.9
[M+HCOO]- 383.124851 200.6
[M+CH3COO]- 397.140501 211.4
[M+Na-2H]- 359.101316 180.9
[M]+ 338.12610142 177.4
[M]- 338.12719858 177.4
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

Patent stripe

No patent data available for this compound.