CID 151410

Lysylphenylalanine

Structural Information

Molecular Formula
C15H23N3O3
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N
InChI
InChI=1S/C15H23N3O3/c16-9-5-4-8-12(17)14(19)18-13(15(20)21)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
QCZYYEFXOBKCNQ-STQMWFEESA-N
Compound name
(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

4306
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

literature stripe

Patent stripe

patents stripe