CID 263475

Tryptophylalanine

Structural Information

Molecular Formula

C₁₄H₁₇N₃O₃

SMILES

CC(C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)N

InChI

InChI=1S/C14H17N3O3/c1-8(14(19)20)17-13(18)11(15)6-9-7-16-12-5-3-2-4-10(9)12/h2-5,7-8,11,16H,6,15H2,1H3,(H,17,18)(H,19,20)

InChIKey

OHGNSVACHBZKSS-UHFFFAOYSA-N

Compound name

2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 10
References: 185
Patents: 275.12698 Da
Monoisotopic Mass: -2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	276.13426	162.7
[M+Na]+	298.11620	169.8
[M+NH4]+	293.16080	167.5
[M+K]+	314.09014	169.0
[M-H]-	274.11970	161.9
[M+Na-2H]-	296.10165	164.6
[M]+	275.12643	162.8
[M]-	275.12753	162.8

Literature stripe

literature stripe

Patent stripe

patents stripe