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

30
Patents

170.96579 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.973066 126.1
[M+Na]+ 193.955008 140.2
[M-H]- 169.958514 128.0
[M+NH4]+ 188.999613 147.4
[M+K]+ 209.928948 135.9
[M+H-H2O]+ 153.963050 120.1
[M+HCOO]- 215.963991 140.5
[M+CH3COO]- 229.979641 141.0
[M+Na-2H]- 191.940456 133.0
[M]+ 170.96524142 131.6
[M]- 170.96633858 131.6
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

patents stripe