CID 208275

Thiazolo(4,5-d)pyrimidine-5,7(4h,6h)-dione, 4,6-dimethyl-2-(propylamino)-

Structural Information

Molecular Formula
C10H14N4O2S
SMILES
CCCNC1=NC2=C(S1)C(=O)N(C(=O)N2C)C
InChI
InChI=1S/C10H14N4O2S/c1-4-5-11-9-12-7-6(17-9)8(15)14(3)10(16)13(7)2/h4-5H2,1-3H3,(H,11,12)
InChIKey
BZRLXRYISRKEAJ-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2-(propylamino)-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

254.08374 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.091016 153.7
[M+Na]+ 277.072958 167.5
[M-H]- 253.076464 156.3
[M+NH4]+ 272.117563 171.3
[M+K]+ 293.046898 162.9
[M+H-H2O]+ 237.081000 146.9
[M+HCOO]- 299.081941 172.6
[M+CH3COO]- 313.097591 196.8
[M+Na-2H]- 275.058406 156.6
[M]+ 254.08319142 161.5
[M]- 254.08428858 161.5
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