CID 85362

L-alanyl-l-tryptophan

Structural Information

Molecular Formula
C14H17N3O3
SMILES
C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)N
InChI
InChI=1S/C14H17N3O3/c1-8(15)13(18)17-12(14(19)20)6-9-7-16-11-5-3-2-4-10(9)11/h2-5,7-8,12,16H,6,15H2,1H3,(H,17,18)(H,19,20)/t8-,12-/m0/s1
InChIKey
WUGMRIBZSVSJNP-UFBFGSQYSA-N
Compound name
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

1929
Patents

275.12698 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.134256 162.9
[M+Na]+ 298.116198 167.8
[M-H]- 274.119704 163.2
[M+NH4]+ 293.160803 177.9
[M+K]+ 314.090138 164.7
[M+H-H2O]+ 258.124240 155.9
[M+HCOO]- 320.125181 182.0
[M+CH3COO]- 334.140831 199.5
[M+Na-2H]- 296.101646 163.8
[M]+ 275.12643142 160.6
[M]- 275.12752858 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