CID 6449725

Brn 4195349

Structural Information

Molecular Formula
C19H19NO3
SMILES
COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C19H19NO3/c1-23-19(22)17(14-16-10-6-3-7-11-16)20-18(21)13-12-15-8-4-2-5-9-15/h2-13,17H,14H2,1H3,(H,20,21)/b13-12+/t17-/m0/s1
InChIKey
OKRWEGGCEZPSQB-UJGDBWEASA-N
Compound name
methyl (2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

309.1365 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14378 174.8
[M+Na]+ 332.12572 186.1
[M+NH4]+ 327.17032 181.1
[M+K]+ 348.09966 179.3
[M-H]- 308.12922 178.0
[M+Na-2H]- 330.11117 182.1
[M]+ 309.13595 177.0
[M]- 309.13705 177.0
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

patents stripe