CID 24847445

N-(3-oxo-3-phenylpropyl)-d-tryptophan

Structural Information

Molecular Formula
C20H20N2O3
SMILES
C1=CC=C(C=C1)C(=O)CCN[C@H](CC2=CNC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C20H20N2O3/c23-19(14-6-2-1-3-7-14)10-11-21-18(20(24)25)12-15-13-22-17-9-5-4-8-16(15)17/h1-9,13,18,21-22H,10-12H2,(H,24,25)/t18-/m1/s1
InChIKey
NAGFRYOJBFWERU-GOSISDBHSA-N
Compound name
(2R)-3-(1H-indol-3-yl)-2-[(3-oxo-3-phenylpropyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.1474 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.15468 180.2
[M+Na]+ 359.13662 190.9
[M+NH4]+ 354.18122 186.1
[M+K]+ 375.11056 186.8
[M-H]- 335.14012 182.3
[M+Na-2H]- 357.12207 185.9
[M]+ 336.14685 181.9
[M]- 336.14795 181.9
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.