CID 118156995

6-iodothieno[2,3-d]pyrimidin-4(3h)-one

Structural Information

Molecular Formula

C₆H₃IN₂OS

SMILES

C1=C(SC2=C1C(=O)NC=N2)I

InChI

InChI=1S/C6H3IN2OS/c7-4-1-3-5(10)8-2-9-6(3)11-4/h1-2H,(H,8,9,10)

InChIKey

YQYGTSPBLUKQIG-UHFFFAOYSA-N

Compound name

6-iodo-3H-thieno[2,3-d]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 277.9011 Da
Monoisotopic Mass: 1.4
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]+	278.90838	139.1
[M+Na]+	300.89032	145.2
[M+NH4]+	295.93492	143.6
[M+K]+	316.86426	142.0
[M-H]-	276.89382	134.0
[M+Na-2H]-	298.87577	132.6
[M]+	277.90055	137.8
[M]-	277.90165	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe