CID 84660724

2225144-27-2

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

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]+	186.98398	131.6
[M+Na]+	208.96592	146.0
[M+NH4]+	204.01052	140.9
[M+K]+	224.93986	139.2
[M-H]-	184.96942	133.4
[M+Na-2H]-	206.95137	138.3
[M]+	185.97615	134.9
[M]-	185.97725	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.