CID 14359388

119011-56-2

Structural Information

Molecular Formula

C₆H₄ClN₃S₂

SMILES

CSC1=NC2=C(S1)C(=NC=N2)Cl

InChI

InChI=1S/C6H4ClN3S2/c1-11-6-10-5-3(12-6)4(7)8-2-9-5/h2H,1H3

InChIKey

QWLDSUKDTJSCCY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 216.95352 Da
Monoisotopic Mass: 2.8
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]+	217.96080	135.5
[M+Na]+	239.94274	150.3
[M-H]-	215.94624	137.7
[M+NH4]+	234.98734	155.6
[M+K]+	255.91668	144.8
[M+H-H2O]+	199.95078	130.6
[M+HCOO]-	261.95172	144.2
[M+CH3COO]-	275.96737	149.6
[M+Na-2H]-	237.92819	138.8
[M]+	216.95297	142.5
[M]-	216.95407	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe