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

0
Patents

240.0681 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.07538 149.3
[M+Na]+ 263.05732 163.6
[M-H]- 239.06082 152.1
[M+NH4]+ 258.10192 167.5
[M+K]+ 279.03126 159.1
[M+H-H2O]+ 223.06536 142.7
[M+HCOO]- 285.06630 168.6
[M+CH3COO]- 299.08195 193.8
[M+Na-2H]- 261.04277 152.7
[M]+ 240.06755 156.8
[M]- 240.06865 156.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe