CID 59011962

1578216-09-7

Structural Information

Molecular Formula

C₅H₃ClN₄S

SMILES

C1=NC2=C(C(=N1)Cl)N=C(S2)N

InChI

InChI=1S/C5H3ClN4S/c6-3-2-4(9-1-8-3)11-5(7)10-2/h1H,(H2,7,10)

InChIKey

UYOPZAUUUUNIFV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
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	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

Literature stripe

literature stripe

Patent stripe

patents stripe