CID 44630675

2,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine

Structural Information

Molecular Formula
C5HCl2N3S
SMILES
C1=NC2=C(C(=N1)Cl)N=C(S2)Cl
InChI
InChI=1S/C5HCl2N3S/c6-3-2-4(9-1-8-3)11-5(7)10-2/h1H
InChIKey
HIETVCLWXWMCSD-UHFFFAOYSA-N
Compound name
2,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

204.92682 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.93410 132.2
[M+Na]+ 227.91604 147.0
[M-H]- 203.91954 133.7
[M+NH4]+ 222.96064 152.6
[M+K]+ 243.88998 141.8
[M+H-H2O]+ 187.92408 126.7
[M+HCOO]- 249.92502 141.2
[M+CH3COO]- 263.94067 146.5
[M+Na-2H]- 225.90149 137.5
[M]+ 204.92627 138.6
[M]- 204.92737 138.6
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