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]+ 191.06375 138.4
[M+Na]+ 213.04569 148.2
[M-H]- 189.04919 139.2
[M+NH4]+ 208.09029 156.9
[M+K]+ 229.01963 142.5
[M+H-H2O]+ 173.05373 132.3
[M+HCOO]- 235.05467 150.8
[M+CH3COO]- 249.07032 150.6
[M+Na-2H]- 211.03114 141.7
[M]+ 190.05592 136.0
[M]- 190.05702 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.