CID 263475

Tryptophyl-alanine

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

188
Patents

275.12698 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.13426 162.9
[M+Na]+ 298.11620 167.8
[M-H]- 274.11970 163.2
[M+NH4]+ 293.16080 177.9
[M+K]+ 314.09014 164.7
[M+H-H2O]+ 258.12424 155.9
[M+HCOO]- 320.12518 182.0
[M+CH3COO]- 334.14083 199.5
[M+Na-2H]- 296.10165 163.8
[M]+ 275.12643 160.6
[M]- 275.12753 160.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe