CID 17754117

2-oxy-4-hydroxy-5-(2-hydrazinopyridine)phenylalanine

Structural Information

Molecular Formula
C14H16N4O4
SMILES
C1=CC=NC(=C1)NNC2=C[C@H](C(=O)C=C2O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C14H16N4O4/c15-9(14(21)22)5-8-6-10(12(20)7-11(8)19)17-18-13-3-1-2-4-16-13/h1-4,6-9,17,20H,5,15H2,(H,16,18)(H,21,22)/t8-,9+/m1/s1
InChIKey
AZUQIXJQZOMXAS-BDAKNGLRSA-N
Compound name
(2S)-2-amino-3-[(1R)-4-hydroxy-6-oxo-3-(2-pyridin-2-ylhydrazinyl)cyclohexa-2,4-dien-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.11716 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.12444 166.9
[M+Na]+ 327.10638 171.2
[M-H]- 303.10988 169.3
[M+NH4]+ 322.15098 177.4
[M+K]+ 343.08032 168.0
[M+H-H2O]+ 287.11442 158.1
[M+HCOO]- 349.11536 187.1
[M+CH3COO]- 363.13101 208.0
[M+Na-2H]- 325.09183 169.2
[M]+ 304.11661 162.5
[M]- 304.11771 162.5
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

No patent data available for this compound.