CID 4962304

3-methyl-4-methylidene-1,2,3,4-tetrahydroquinazoline-2-thione

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.063746 138.4
[M+Na]+ 213.045688 148.2
[M-H]- 189.049194 139.2
[M+NH4]+ 208.090293 156.9
[M+K]+ 229.019628 142.5
[M+H-H2O]+ 173.053730 132.3
[M+HCOO]- 235.054671 150.8
[M+CH3COO]- 249.070321 150.6
[M+Na-2H]- 211.031136 141.7
[M]+ 190.05592142 136.0
[M]- 190.05701858 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.