CID 230047

Tetrahydroxypteridine

Structural Information

Molecular Formula

C₆H₄N₄O₄

SMILES

C12=C(NC(=O)C(=O)N1)NC(=O)NC2=O

InChI

InChI=1S/C6H4N4O4/c11-3-1-2(9-6(14)10-3)8-5(13)4(12)7-1/h(H,7,12)(H3,8,9,10,11,13,14)

InChIKey

MVKRISPIRVEPFM-UHFFFAOYSA-N

Compound name

5,8-dihydro-1H-pteridine-2,4,6,7-tetrone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 196.02325 Da
Monoisotopic Mass: -2.0
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]+	197.03053	137.7
[M+Na]+	219.01247	150.7
[M+NH4]+	214.05707	141.4
[M+K]+	234.98641	147.5
[M-H]-	195.01597	134.1
[M+Na-2H]-	216.99792	140.8
[M]+	196.02270	137.9
[M]-	196.02380	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe