CID 206325

Brn 0828313

Structural Information

Molecular Formula
C18H17FN2OS
SMILES
CCC1=NC2=C(C=C(C=C2)F)C(=S)N1C3=CC=C(C=C3)OCC
InChI
InChI=1S/C18H17FN2OS/c1-3-17-20-16-10-5-12(19)11-15(16)18(23)21(17)13-6-8-14(9-7-13)22-4-2/h5-11H,3-4H2,1-2H3
InChIKey
SFJPBZGONUQKCH-UHFFFAOYSA-N
Compound name
3-(4-ethoxyphenyl)-2-ethyl-6-fluoroquinazoline-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.10455 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11183 174.4
[M+Na]+ 351.09377 185.9
[M-H]- 327.09727 178.8
[M+NH4]+ 346.13837 188.1
[M+K]+ 367.06771 178.5
[M+H-H2O]+ 311.10181 164.5
[M+HCOO]- 373.10275 188.8
[M+CH3COO]- 387.11840 185.5
[M+Na-2H]- 349.07922 176.5
[M]+ 328.10400 178.5
[M]- 328.10510 178.5
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.