CID 44630675

2,7-dichlorothiazolo[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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	205.93410	135.8
[M+Na]+	227.91604	152.2
[M+NH4]+	222.96064	145.7
[M+K]+	243.88998	143.8
[M-H]-	203.91954	137.4
[M+Na-2H]-	225.90149	142.9
[M]+	204.92627	139.7
[M]-	204.92737	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe