CID 208277

31895-48-4

Structural Information

Molecular Formula

C₉H₁₂N₄O₂S

SMILES

CCNC1=NC2=C(S1)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C9H12N4O2S/c1-4-10-8-11-6-5(16-8)7(14)13(3)9(15)12(6)2/h4H2,1-3H3,(H,10,11)

InChIKey

KLEKCCRFDIKVFM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 240.0681 Da
Monoisotopic Mass: 1.2
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]+	241.075376	149.3
[M+Na]+	263.057318	163.6
[M-H]-	239.060824	152.1
[M+NH4]+	258.101923	167.5
[M+K]+	279.031258	159.1
[M+H-H2O]+	223.065360	142.7
[M+HCOO]-	285.066301	168.6
[M+CH3COO]-	299.081951	193.8
[M+Na-2H]-	261.042766	152.7
[M]+	240.06755142	156.8
[M]-	240.06864858	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe