CID 146049415

2-bromo-5-chloro-[1,3]thiazolo[5,4-d]pyrimidine

Structural Information

Molecular Formula
C5HBrClN3S
SMILES
C1=C2C(=NC(=N1)Cl)SC(=N2)Br
InChI
InChI=1S/C5HBrClN3S/c6-4-9-2-1-8-5(7)10-3(2)11-4/h1H
InChIKey
TUXIEALZKDGHFT-UHFFFAOYSA-N
Compound name
2-bromo-5-chloro-[1,3]thiazolo[5,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

248.87631 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.88359 126.7
[M+Na]+ 271.86553 145.2
[M-H]- 247.86903 132.1
[M+NH4]+ 266.91013 149.2
[M+K]+ 287.83947 132.6
[M+H-H2O]+ 231.87357 128.1
[M+HCOO]- 293.87451 139.8
[M+CH3COO]- 307.89016 143.9
[M+Na-2H]- 269.85098 135.4
[M]+ 248.87576 151.2
[M]- 248.87686 151.2
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

patents stripe