CID 21873618

615568-49-5

Structural Information

Molecular Formula

C₈H₆N₂O₄

SMILES

C1C(=O)NC2=C(O1)N=CC(=C2)C(=O)O

InChI

InChI=1S/C8H6N2O4/c11-6-3-14-7-5(10-6)1-4(2-9-7)8(12)13/h1-2H,3H2,(H,10,11)(H,12,13)

InChIKey

HPXKNLCQHHPJFS-UHFFFAOYSA-N

Compound name

2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 194.03276 Da
Monoisotopic Mass: -0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	195.04004	137.0
[M+Na]+	217.02198	145.4
[M-H]-	193.02548	136.9
[M+NH4]+	212.06658	151.8
[M+K]+	232.99592	143.6
[M+H-H2O]+	177.03002	130.0
[M+HCOO]-	239.03096	152.5
[M+CH3COO]-	253.04661	176.9
[M+Na-2H]-	215.00743	144.2
[M]+	194.03221	134.9
[M]-	194.03331	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe