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 179.9
[M+Na]+ 361.11587 181.7
[M-H]- 337.11937 184.1
[M+NH4]+ 356.16047 190.6
[M+K]+ 377.08981 178.2
[M+H-H2O]+ 321.12391 170.9
[M+HCOO]- 383.12485 200.6
[M+CH3COO]- 397.14050 211.4
[M+Na-2H]- 359.10132 180.9
[M]+ 338.12610 177.4
[M]- 338.12720 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.