CID 6448997

(e)-n-(5-(2-furanyl)-3-oxo-4-pentenyl)-l-tryptophan phenyl ester

Structural Information

Molecular Formula
C26H24N2O4
SMILES
C1=CC=C(C=C1)OC(=O)[C@H](CC2=CNC3=CC=CC=C32)NCCC(=O)/C=C/C4=CC=CO4
InChI
InChI=1S/C26H24N2O4/c29-20(12-13-21-9-6-16-31-21)14-15-27-25(26(30)32-22-7-2-1-3-8-22)17-19-18-28-24-11-5-4-10-23(19)24/h1-13,16,18,25,27-28H,14-15,17H2/b13-12+/t25-/m0/s1
InChIKey
FDKNOAJBOXJREX-SDQWYYNMSA-N
Compound name
phenyl (2S)-2-[[(E)-5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-(1H-indol-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.1736 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.18088 204.6
[M+Na]+ 451.16282 215.5
[M+NH4]+ 446.20742 209.8
[M+K]+ 467.13676 212.5
[M-H]- 427.16632 209.6
[M+Na-2H]- 449.14827 210.6
[M]+ 428.17305 207.3
[M]- 428.17415 207.3
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.