CID 135408963

159897-64-0

Structural Information

Molecular Formula

C₈H₇N₃OS₂

SMILES

C=CCN1C2=C(C(=O)NC=N2)SC1=S

InChI

InChI=1S/C8H7N3OS2/c1-2-3-11-6-5(14-8(11)13)7(12)10-4-9-6/h2,4H,1,3H2,(H,9,10,12)

InChIKey

XMSJNOBHTISRAW-UHFFFAOYSA-N

Compound name

3-prop-2-enyl-2-sulfanylidene-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 225.00305 Da
Monoisotopic Mass: 0.9
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]+	226.01033	147.2
[M+Na]+	247.99227	160.4
[M+NH4]+	243.03687	154.8
[M+K]+	263.96621	151.7
[M-H]-	223.99577	147.4
[M+Na-2H]-	245.97772	150.8
[M]+	225.00250	149.9
[M]-	225.00360	149.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.