CID 10250

Lumazine

Structural Information

Molecular Formula

C₆H₄N₄O₂

SMILES

C1=CN=C2C(=N1)C(=O)NC(=O)N2

InChI

InChI=1S/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)

InChIKey

UYEUUXMDVNYCAM-UHFFFAOYSA-N

Compound name

1H-pteridine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 94
References: 1961
Patents: 164.03343 Da
Monoisotopic Mass: -1.0
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]+	165.04071	131.1
[M+Na]+	187.02265	142.9
[M-H]-	163.02615	128.5
[M+NH4]+	182.06725	146.2
[M+K]+	202.99659	137.9
[M+H-H2O]+	147.03069	123.3
[M+HCOO]-	209.03163	148.9
[M+CH3COO]-	223.04728	143.5
[M+Na-2H]-	185.00810	141.6
[M]+	164.03288	129.3
[M]-	164.03398	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe