CID 6325373

6-(hydroxymethyl)-2,4(1h,3h)-pteridinedione

Structural Information

Molecular Formula
C7H6N4O3
SMILES
C1=C(N=C2C(=N1)NC(=O)NC2=O)CO
InChI
InChI=1S/C7H6N4O3/c12-2-3-1-8-5-4(9-3)6(13)11-7(14)10-5/h1,12H,2H2,(H2,8,10,11,13,14)
InChIKey
SQXCACKAQINDFU-UHFFFAOYSA-N
Compound name
6-(hydroxymethyl)-1H-pteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

194.04399 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.051266 139.6
[M+Na]+ 217.033208 151.3
[M-H]- 193.036714 135.9
[M+NH4]+ 212.077813 153.0
[M+K]+ 233.007148 145.8
[M+H-H2O]+ 177.041250 132.0
[M+HCOO]- 239.042191 155.7
[M+CH3COO]- 253.057841 175.1
[M+Na-2H]- 215.018656 148.3
[M]+ 194.04344142 138.2
[M]- 194.04453858 138.2
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