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 179.0
[M+Na]+ 359.13662 183.4
[M-H]- 335.14012 182.3
[M+NH4]+ 354.18122 191.4
[M+K]+ 375.11056 178.0
[M+H-H2O]+ 319.14466 170.5
[M+HCOO]- 381.14560 197.9
[M+CH3COO]- 395.16125 208.3
[M+Na-2H]- 357.12207 180.9
[M]+ 336.14685 178.6
[M]- 336.14795 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.