CID 3086912

Pyrido(4,3-d)pyrimidine-2,4(1h,3h)-dione, 1,3-dimethyl-

Structural Information

Molecular Formula

C₉H₉N₃O₂

SMILES

CN1C2=C(C=NC=C2)C(=O)N(C1=O)C

InChI

InChI=1S/C9H9N3O2/c1-11-7-3-4-10-5-6(7)8(13)12(2)9(11)14/h3-5H,1-2H3

InChIKey

GXLUIUJUEVVCKL-UHFFFAOYSA-N

Compound name

1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 191.06947 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]+	192.07675	138.4
[M+Na]+	214.05869	154.3
[M+NH4]+	209.10329	145.7
[M+K]+	230.03263	147.9
[M-H]-	190.06219	139.1
[M+Na-2H]-	212.04414	145.1
[M]+	191.06892	140.8
[M]-	191.07002	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe