CID 24847445

D-tryptophan, n-(3-oxo-3-phenylpropyl)-

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]+ 337.154676 179.0
[M+Na]+ 359.136618 183.4
[M-H]- 335.140124 182.3
[M+NH4]+ 354.181223 191.4
[M+K]+ 375.110558 178.0
[M+H-H2O]+ 319.144660 170.5
[M+HCOO]- 381.145601 197.9
[M+CH3COO]- 395.161251 208.3
[M+Na-2H]- 357.122066 180.9
[M]+ 336.14685142 178.6
[M]- 336.14794858 178.6
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.