CID 7021820

Lys-tyr

Structural Information

Molecular Formula
C15H23N3O4
SMILES
C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N)O
InChI
InChI=1S/C15H23N3O4/c16-8-2-1-3-12(17)14(20)18-13(15(21)22)9-10-4-6-11(19)7-5-10/h4-7,12-13,19H,1-3,8-9,16-17H2,(H,18,20)(H,21,22)/t12-,13-/m0/s1
InChIKey
MYTOTTSMVMWVJN-STQMWFEESA-N
Compound name
(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3222
Patents

309.16885 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.176126 174.4
[M+Na]+ 332.158068 175.8
[M-H]- 308.161574 173.4
[M+NH4]+ 327.202673 185.6
[M+K]+ 348.132008 173.7
[M+H-H2O]+ 292.166110 166.5
[M+HCOO]- 354.167051 192.9
[M+CH3COO]- 368.182701 210.0
[M+Na-2H]- 330.143516 171.6
[M]+ 309.16830142 170.4
[M]- 309.16939858 170.4
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