CID 84660724

2-chloro-[1,3]thiazolo[4,5-d]pyrimidin-5-amine hydrochloride

Structural Information

Molecular Formula
C5H3ClN4S
SMILES
C1=C2C(=NC(=N1)N)N=C(S2)Cl
InChI
InChI=1S/C5H3ClN4S/c6-4-9-3-2(11-4)1-8-5(7)10-3/h1H,(H2,7,8,10)
InChIKey
CYQXQJQLKUBKQU-UHFFFAOYSA-N
Compound name
2-chloro-[1,3]thiazolo[4,5-d]pyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.9767 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.98398 130.6
[M+Na]+ 208.96592 144.6
[M-H]- 184.96942 132.3
[M+NH4]+ 204.01052 150.9
[M+K]+ 224.93986 139.7
[M+H-H2O]+ 168.97396 124.6
[M+HCOO]- 230.97490 145.3
[M+CH3COO]- 244.99055 145.0
[M+Na-2H]- 206.95137 136.6
[M]+ 185.97615 134.8
[M]- 185.97725 134.8
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

No patent data available for this compound.