CID 208279

31895-50-8

Structural Information

Molecular Formula
C11H16N4O2S
SMILES
CCCCNC1=NC2=C(S1)C(=O)N(C(=O)N2C)C
InChI
InChI=1S/C11H16N4O2S/c1-4-5-6-12-10-13-8-7(18-10)9(16)15(3)11(17)14(8)2/h4-6H2,1-3H3,(H,12,13)
InChIKey
JJUOFQMPYZPUOS-UHFFFAOYSA-N
Compound name
2-(butylamino)-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

268.0994 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10668 158.1
[M+Na]+ 291.08862 171.4
[M-H]- 267.09212 160.5
[M+NH4]+ 286.13322 175.1
[M+K]+ 307.06256 166.6
[M+H-H2O]+ 251.09666 151.1
[M+HCOO]- 313.09760 176.7
[M+CH3COO]- 327.11325 199.7
[M+Na-2H]- 289.07407 160.5
[M]+ 268.09885 166.2
[M]- 268.09995 166.2
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

No patent data available for this compound.