CID 6448993

L-phenylalanine, n-((4e)-5-(2-furanyl)-3-oxo-4-pentenyl)-, methyl ester

Structural Information

Molecular Formula
C19H21NO4
SMILES
COC(=O)[C@H](CC1=CC=CC=C1)NCCC(=O)/C=C/C2=CC=CO2
InChI
InChI=1S/C19H21NO4/c1-23-19(22)18(14-15-6-3-2-4-7-15)20-12-11-16(21)9-10-17-8-5-13-24-17/h2-10,13,18,20H,11-12,14H2,1H3/b10-9+/t18-/m0/s1
InChIKey
QWUUDRLPFVABOC-BBVFFXRHSA-N
Compound name
methyl (2S)-2-[[(E)-5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.14706 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.15434 180.0
[M+Na]+ 350.13628 189.0
[M+NH4]+ 345.18088 185.3
[M+K]+ 366.11022 185.4
[M-H]- 326.13978 183.0
[M+Na-2H]- 348.12173 184.4
[M]+ 327.14651 181.7
[M]- 327.14761 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.