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

16
Patents

218.94247 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.949746 137.0
[M+Na]+ 241.931688 152.2
[M-H]- 217.935194 138.7
[M+NH4]+ 236.976293 157.2
[M+K]+ 257.905628 146.8
[M+H-H2O]+ 201.939730 131.7
[M+HCOO]- 263.940671 145.7
[M+CH3COO]- 277.956321 151.2
[M+Na-2H]- 239.917136 141.1
[M]+ 218.94192142 144.1
[M]- 218.94301858 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