CID 47594

Dl-3-(benzyloxy)-n-hydrocinnamoylalanine sodium salt

Structural Information

Molecular Formula
C19H21NO4
SMILES
C1=CC=C(C=C1)CCC(=O)NC(COCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C19H21NO4/c21-18(12-11-15-7-3-1-4-8-15)20-17(19(22)23)14-24-13-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,20,21)(H,22,23)
InChIKey
SJKXLIIJZJECQY-UHFFFAOYSA-N
Compound name
3-phenylmethoxy-2-(3-phenylpropanoylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.14706 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.15434 178.8
[M+Na]+ 350.13628 188.9
[M+NH4]+ 345.18088 184.4
[M+K]+ 366.11022 183.1
[M-H]- 326.13978 181.2
[M+Na-2H]- 348.12173 185.1
[M]+ 327.14651 180.5
[M]- 327.14761 180.5
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.