CID 208276

31894-93-6

Structural Information

Molecular Formula

C₈H₁₀N₄O₂S

SMILES

CNC1=NC2=C(S1)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C8H10N4O2S/c1-9-7-10-5-4(15-7)6(13)12(3)8(14)11(5)2/h1-3H3,(H,9,10)

InChIKey

ABHDMMPZQZGUFB-UHFFFAOYSA-N

Compound name

4,6-dimethyl-2-(methylamino)-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 226.05244 Da
Monoisotopic Mass: 0.8
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]+	227.059716	144.9
[M+Na]+	249.041658	159.6
[M-H]-	225.045164	147.9
[M+NH4]+	244.086263	163.6
[M+K]+	265.015598	155.4
[M+H-H2O]+	209.049700	138.5
[M+HCOO]-	271.050641	164.5
[M+CH3COO]-	285.066291	190.8
[M+Na-2H]-	247.027106	148.7
[M]+	226.05189142	152.0
[M]-	226.05298858	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe