CID 136648281

7,8-dihydroxanthopterin

Structural Information

Molecular Formula
C6H7N5O2
SMILES
C1C(=O)NC2C(=O)NC(=NC2=N1)N
InChI
InChI=1S/C6H7N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h3H,1H2,(H,9,12)(H3,7,8,10,11,13)
InChIKey
WBZKQFAVPDYTLF-UHFFFAOYSA-N
Compound name
2-amino-3,4a,5,7-tetrahydropteridine-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

181.05997 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06725 139.9
[M+Na]+ 204.04919 148.8
[M-H]- 180.05269 136.1
[M+NH4]+ 199.09379 153.6
[M+K]+ 220.02313 144.2
[M+H-H2O]+ 164.05723 132.0
[M+HCOO]- 226.05817 153.8
[M+CH3COO]- 240.07382 177.7
[M+Na-2H]- 202.03464 146.0
[M]+ 181.05942 132.7
[M]- 181.06052 132.7
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

patents stripe