CID 14717809

Yh dipeptide

Structural Information

Molecular Formula
C15H18N4O4
SMILES
C1=CC(=CC=C1CC(C(=O)NC(CC2=CN=CN2)C(=O)O)N)O
InChI
InChI=1S/C15H18N4O4/c16-12(5-9-1-3-11(20)4-2-9)14(21)19-13(15(22)23)6-10-7-17-8-18-10/h1-4,7-8,12-13,20H,5-6,16H2,(H,17,18)(H,19,21)(H,22,23)
InChIKey
ZQOOYCZQENFIMC-UHFFFAOYSA-N
Compound name
2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

80
Patents

318.1328 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14008 173.1
[M+Na]+ 341.12202 178.7
[M+NH4]+ 336.16662 175.8
[M+K]+ 357.09596 179.4
[M-H]- 317.12552 171.9
[M+Na-2H]- 339.10747 175.3
[M]+ 318.13225 172.6
[M]- 318.13335 172.6
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