CID 58234952

5,7-dichloro-2-methylthiazolo[4,5-d]pyrimidine

Structural Information

Molecular Formula
C6H3Cl2N3S
SMILES
CC1=NC2=C(S1)C(=NC(=N2)Cl)Cl
InChI
InChI=1S/C6H3Cl2N3S/c1-2-9-5-3(12-2)4(7)10-6(8)11-5/h1H3
InChIKey
OOZLZUWRNQNRLY-UHFFFAOYSA-N
Compound name
5,7-dichloro-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

218.94247 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.94975 137.0
[M+Na]+ 241.93169 152.2
[M-H]- 217.93519 138.7
[M+NH4]+ 236.97629 157.2
[M+K]+ 257.90563 146.8
[M+H-H2O]+ 201.93973 131.7
[M+HCOO]- 263.94067 145.7
[M+CH3COO]- 277.95632 151.2
[M+Na-2H]- 239.91714 141.1
[M]+ 218.94192 144.1
[M]- 218.94302 144.1
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