CID 485225

4-ethylsulfanylquinazoline

Structural Information

Molecular Formula
C10H10N2S
SMILES
CCSC1=NC=NC2=CC=CC=C21
InChI
InChI=1S/C10H10N2S/c1-2-13-10-8-5-3-4-6-9(8)11-7-12-10/h3-7H,2H2,1H3
InChIKey
GFUSGBLJZCMGEU-UHFFFAOYSA-N
Compound name
4-ethylsulfanylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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 136.7
[M+Na]+ 213.04569 146.8
[M-H]- 189.04919 138.9
[M+NH4]+ 208.09029 155.7
[M+K]+ 229.01963 142.7
[M+H-H2O]+ 173.05373 129.8
[M+HCOO]- 235.05467 153.3
[M+CH3COO]- 249.07032 149.9
[M+Na-2H]- 211.03114 143.9
[M]+ 190.05592 139.5
[M]- 190.05702 139.5
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.