CID 135532281

2-amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxypteridine

Structural Information

Molecular Formula
C9H9N5O5
SMILES
CC(=O)C(=O)C1=NC2=C(N=C(NC2=O)N)N(C1O)O
InChI
InChI=1S/C9H9N5O5/c1-2(15)5(16)3-8(18)14(19)6-4(11-3)7(17)13-9(10)12-6/h8,18-19H,1H3,(H3,10,12,13,17)
InChIKey
QBHQZPRDJMYEDG-UHFFFAOYSA-N
Compound name
1-(2-amino-7,8-dihydroxy-4-oxo-3,7-dihydropteridin-6-yl)propane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

267.06036 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.06764 157.9
[M+Na]+ 290.04958 167.8
[M-H]- 266.05308 154.1
[M+NH4]+ 285.09418 167.6
[M+K]+ 306.02352 163.9
[M+H-H2O]+ 250.05762 150.3
[M+HCOO]- 312.05856 170.8
[M+CH3COO]- 326.07421 195.1
[M+Na-2H]- 288.03503 160.6
[M]+ 267.05981 155.9
[M]- 267.06091 155.9
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.