CID 5403692

4713-68-2

Structural Information

Molecular Formula
C10H7N5O2
SMILES
C1=CC2=C(C=C1N)N=C3C(=N2)C(=O)NC(=O)N3
InChI
InChI=1S/C10H7N5O2/c11-4-1-2-5-6(3-4)13-8-7(12-5)9(16)15-10(17)14-8/h1-3H,11H2,(H2,13,14,15,16,17)
InChIKey
JCLWDYJJLLQWQS-UHFFFAOYSA-N
Compound name
8-amino-1H-benzo[g]pteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

229.05997 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.06725 148.9
[M+Na]+ 252.04919 162.3
[M-H]- 228.05269 147.7
[M+NH4]+ 247.09379 162.3
[M+K]+ 268.02313 155.1
[M+H-H2O]+ 212.05723 140.6
[M+HCOO]- 274.05817 166.9
[M+CH3COO]- 288.07382 160.6
[M+Na-2H]- 250.03464 159.6
[M]+ 229.05942 148.1
[M]- 229.06052 148.1
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