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

3
Patents

194.04399 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.05127 139.6
[M+Na]+ 217.03321 151.3
[M-H]- 193.03671 135.9
[M+NH4]+ 212.07781 153.0
[M+K]+ 233.00715 145.8
[M+H-H2O]+ 177.04125 132.0
[M+HCOO]- 239.04219 155.7
[M+CH3COO]- 253.05784 175.1
[M+Na-2H]- 215.01866 148.3
[M]+ 194.04344 138.2
[M]- 194.04454 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