CID 590555

7,8-dihydro-2,4(1h,3h)-pteridinedione

Structural Information

Molecular Formula

C₆H₆N₄O₂

SMILES

C1C=NC2=C(N1)NC(=O)NC2=O

InChI

InChI=1S/C6H6N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1H,2H2,(H3,8,9,10,11,12)

InChIKey

MYJNEEHZESREMO-UHFFFAOYSA-N

Compound name

7,8-dihydro-1H-pteridine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2
Patents: 166.04907 Da
Monoisotopic Mass: -1.3
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]+	167.05635	132.5
[M+Na]+	189.03829	145.4
[M+NH4]+	184.08289	138.2
[M+K]+	205.01223	140.8
[M-H]-	165.04179	130.5
[M+Na-2H]-	187.02374	137.1
[M]+	166.04852	133.4
[M]-	166.04962	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe