CID 14389221

Asparaginyl-tyrosine

Structural Information

Molecular Formula
C13H17N3O5
SMILES
C1=CC(=CC=C1CC(C(=O)O)NC(=O)C(CC(=O)N)N)O
InChI
InChI=1S/C13H17N3O5/c14-9(6-11(15)18)12(19)16-10(13(20)21)5-7-1-3-8(17)4-2-7/h1-4,9-10,17H,5-6,14H2,(H2,15,18)(H,16,19)(H,20,21)
InChIKey
FYRVDDJMNISIKJ-UHFFFAOYSA-N
Compound name
2-[(2,4-diamino-4-oxobutanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

295.11682 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12410 167.2
[M+Na]+ 318.10604 169.3
[M-H]- 294.10954 166.6
[M+NH4]+ 313.15064 178.7
[M+K]+ 334.07998 168.4
[M+H-H2O]+ 278.11408 159.6
[M+HCOO]- 340.11502 185.8
[M+CH3COO]- 354.13067 206.7
[M+Na-2H]- 316.09149 164.3
[M]+ 295.11627 162.6
[M]- 295.11737 162.6
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

patents stripe