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

21
Patents

196.02325 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03053 138.1
[M+Na]+ 219.01247 151.1
[M-H]- 195.01597 133.7
[M+NH4]+ 214.05707 150.8
[M+K]+ 234.98641 144.4
[M+H-H2O]+ 179.02051 131.2
[M+HCOO]- 241.02145 153.5
[M+CH3COO]- 255.03710 172.3
[M+Na-2H]- 216.99792 146.0
[M]+ 196.02270 135.0
[M]- 196.02380 135.0
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

No patent data available for this compound.