CID 439706

Xanthopterin-b2

Structural Information

Molecular Formula
C9H10N4O4
SMILES
CC(C(=O)C1=NC2=C(NC1)NC(=O)NC2=O)O
InChI
InChI=1S/C9H10N4O4/c1-3(14)6(15)4-2-10-7-5(11-4)8(16)13-9(17)12-7/h3,14H,2H2,1H3,(H3,10,12,13,16,17)
InChIKey
PINNBMAOEJRIQL-UHFFFAOYSA-N
Compound name
6-(2-hydroxypropanoyl)-7,8-dihydro-1H-pteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0702 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.07748 151.4
[M+Na]+ 261.05942 160.3
[M-H]- 237.06292 145.9
[M+NH4]+ 256.10402 161.8
[M+K]+ 277.03336 155.0
[M+H-H2O]+ 221.06746 143.9
[M+HCOO]- 283.06840 162.3
[M+CH3COO]- 297.08405 182.8
[M+Na-2H]- 259.04487 155.5
[M]+ 238.06965 147.0
[M]- 238.07075 147.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.