CID 122163748

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

Structural Information

Molecular Formula
C5HClIN3S
SMILES
C1=NC2=C(C(=N1)Cl)N=C(S2)I
InChI
InChI=1S/C5HClIN3S/c6-3-2-4(9-1-8-3)11-5(7)10-2/h1H
InChIKey
XJNMAUKZNDPLRV-UHFFFAOYSA-N
Compound name
7-chloro-2-iodo-[1,3]thiazolo[5,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.86243 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.869706 128.9
[M+Na]+ 319.851648 136.3
[M-H]- 295.855154 124.2
[M+NH4]+ 314.896253 144.8
[M+K]+ 335.825588 137.7
[M+H-H2O]+ 279.859690 119.8
[M+HCOO]- 341.860631 138.8
[M+CH3COO]- 355.876281 139.8
[M+Na-2H]- 317.837096 124.1
[M]+ 296.86188142 132.2
[M]- 296.86297858 132.2
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

No patent data available for this compound.