CID 135449335

70466-83-0

Structural Information

Molecular Formula
C15H14N2O6
SMILES
CC(=NC1=CC(=C(C=C1)O)N)C2=C(C(=C(OC2=O)O)C(=O)C)O
InChI
InChI=1S/C15H14N2O6/c1-6(17-8-3-4-10(19)9(16)5-8)11-13(20)12(7(2)18)15(22)23-14(11)21/h3-5,19-20,22H,16H2,1-2H3
InChIKey
QTBDFGLSJVVUNP-UHFFFAOYSA-N
Compound name
5-acetyl-3-[N-(3-amino-4-hydroxyphenyl)-C-methylcarbonimidoyl]-4,6-dihydroxypyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

318.08517 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.092446 171.5
[M+Na]+ 341.074388 180.1
[M-H]- 317.077894 177.4
[M+NH4]+ 336.118993 182.7
[M+K]+ 357.048328 178.5
[M+H-H2O]+ 301.082430 163.7
[M+HCOO]- 363.083371 192.5
[M+CH3COO]- 377.099021 210.3
[M+Na-2H]- 339.059836 172.0
[M]+ 318.08462142 173.1
[M]- 318.08571858 173.1
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