CID 598827

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

Structural Information

Molecular Formula
C5H2ClN3S
SMILES
C1=C2C(=NC(=N1)Cl)SC=N2
InChI
InChI=1S/C5H2ClN3S/c6-5-7-1-3-4(9-5)10-2-8-3/h1-2H
InChIKey
UDIYJWYHTBBBAC-UHFFFAOYSA-N
Compound name
5-chloro-[1,3]thiazolo[5,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

170.96579 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.97307 128.0
[M+Na]+ 193.95501 143.7
[M+NH4]+ 188.99961 138.0
[M+K]+ 209.92895 135.9
[M-H]- 169.95851 129.7
[M+Na-2H]- 191.94046 135.6
[M]+ 170.96524 131.5
[M]- 170.96634 131.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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