CID 15607820

Phe-lys

Structural Information

Molecular Formula
C15H23N3O3
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)N
InChI
InChI=1S/C15H23N3O3/c16-9-5-4-8-13(15(20)21)18-14(19)12(17)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,16-17H2,(H,18,19)(H,20,21)/t12-,13-/m0/s1
InChIKey
FADYJNXDPBKVCA-STQMWFEESA-N
Compound name
(2S)-6-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6787
Patents

293.17395 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18123 171.9
[M+Na]+ 316.16317 173.0
[M-H]- 292.16667 172.0
[M+NH4]+ 311.20777 184.3
[M+K]+ 332.13711 170.9
[M+H-H2O]+ 276.17121 163.8
[M+HCOO]- 338.17215 191.8
[M+CH3COO]- 352.18780 208.5
[M+Na-2H]- 314.14862 170.3
[M]+ 293.17340 168.0
[M]- 293.17450 168.0
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.