CID 1445344

69729-68-6

Structural Information

Molecular Formula
C10H10N2S
SMILES
CCC1=NC(=S)C2=CC=CC=C2N1
InChI
InChI=1S/C10H10N2S/c1-2-9-11-8-6-4-3-5-7(8)10(13)12-9/h3-6H,2H2,1H3,(H,11,12,13)
InChIKey
JHGVAZCNMCJXSO-UHFFFAOYSA-N
Compound name
2-ethyl-1H-quinazoline-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

190.05647 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06375 136.8
[M+Na]+ 213.04569 147.6
[M-H]- 189.04919 137.9
[M+NH4]+ 208.09029 155.3
[M+K]+ 229.01963 141.8
[M+H-H2O]+ 173.05373 130.4
[M+HCOO]- 235.05467 151.9
[M+CH3COO]- 249.07032 149.6
[M+Na-2H]- 211.03114 142.7
[M]+ 190.05592 137.4
[M]- 190.05702 137.4
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

patents stripe