CID 4962304

14333-74-5

Structural Information

Molecular Formula

C₁₀H₁₀N₂S

SMILES

CN1C(=C)C2=CC=CC=C2NC1=S

InChI

InChI=1S/C10H10N2S/c1-7-8-5-3-4-6-9(8)11-10(13)12(7)2/h3-6H,1H2,2H3,(H,11,13)

InChIKey

UXGZBDWDJBBECB-UHFFFAOYSA-N

Compound name

3-methyl-4-methylidene-1H-quinazoline-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 190.05647 Da
Monoisotopic Mass: 1.9
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]+	191.06375	140.7
[M+Na]+	213.04569	154.3
[M+NH4]+	208.09029	149.8
[M+K]+	229.01963	144.9
[M-H]-	189.04919	142.5
[M+Na-2H]-	211.03114	145.7
[M]+	190.05592	143.6
[M]-	190.05702	143.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.