CID 206319

Brn 0817820

Structural Information

Molecular Formula
C17H15FN2OS
SMILES
CCOC1=CC=C(C=C1)N2C(=NC3=C(C2=S)C=C(C=C3)F)C
InChI
InChI=1S/C17H15FN2OS/c1-3-21-14-7-5-13(6-8-14)20-11(2)19-16-9-4-12(18)10-15(16)17(20)22/h4-10H,3H2,1-2H3
InChIKey
MRCQTILLIQJURY-UHFFFAOYSA-N
Compound name
3-(4-ethoxyphenyl)-6-fluoro-2-methylquinazoline-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.0889 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.09618 170.0
[M+Na]+ 337.07812 181.9
[M-H]- 313.08162 174.5
[M+NH4]+ 332.12272 184.2
[M+K]+ 353.05206 174.8
[M+H-H2O]+ 297.08616 160.3
[M+HCOO]- 359.08710 184.7
[M+CH3COO]- 373.10275 181.5
[M+Na-2H]- 335.06357 172.6
[M]+ 314.08835 173.7
[M]- 314.08945 173.7
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.