CID 722257

51486-16-9

Structural Information

Molecular Formula

C₁₁H₁₂N₂OS₂

SMILES

CC1=C(SC2=C1C(=O)N(C(=S)N2)CC=C)C

InChI

InChI=1S/C11H12N2OS2/c1-4-5-13-10(14)8-6(2)7(3)16-9(8)12-11(13)15/h4H,1,5H2,2-3H3,(H,12,15)

InChIKey

UIDZXXIBHNLIGD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 252.03911 Da
Monoisotopic Mass: 2.6
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]+	253.046386	150.3
[M+Na]+	275.028328	164.7
[M-H]-	251.031834	152.6
[M+NH4]+	270.072933	169.3
[M+K]+	291.002268	157.0
[M+H-H2O]+	235.036370	145.6
[M+HCOO]-	297.037311	162.2
[M+CH3COO]-	311.052961	163.4
[M+Na-2H]-	273.013776	149.7
[M]+	252.03856142	155.8
[M]-	252.03965858	155.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.