CID 5403692

8-aminobenzo[g]pteridine-2,4(1h,3h)-dione

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	230.06725	147.1
[M+Na]+	252.04919	162.7
[M+NH4]+	247.09379	153.3
[M+K]+	268.02313	156.9
[M-H]-	228.05269	147.5
[M+Na-2H]-	250.03464	153.3
[M]+	229.05942	149.2
[M]-	229.06052	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe