CID 206324

Brn 0814210

Structural Information

Molecular Formula
C17H15FN2S
SMILES
CCC1=NC2=C(C=C(C=C2)F)C(=S)N1C3=CC=CC(=C3)C
InChI
InChI=1S/C17H15FN2S/c1-3-16-19-15-8-7-12(18)10-14(15)17(21)20(16)13-6-4-5-11(2)9-13/h4-10H,3H2,1-2H3
InChIKey
KSQGAVQCBDVHGJ-UHFFFAOYSA-N
Compound name
2-ethyl-6-fluoro-3-(3-methylphenyl)quinazoline-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.094 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10128 166.1
[M+Na]+ 321.08322 178.3
[M-H]- 297.08672 170.7
[M+NH4]+ 316.12782 181.1
[M+K]+ 337.05716 170.5
[M+H-H2O]+ 281.09126 156.7
[M+HCOO]- 343.09220 180.7
[M+CH3COO]- 357.10785 177.8
[M+Na-2H]- 319.06867 168.6
[M]+ 298.09345 168.5
[M]- 298.09455 168.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.