CID 206318

Brn 0820649

Structural Information

Molecular Formula
C16H13FN2OS
SMILES
CC1=NC2=C(C=C(C=C2)F)C(=S)N1C3=CC=CC=C3OC
InChI
InChI=1S/C16H13FN2OS/c1-10-18-13-8-7-11(17)9-12(13)16(21)19(10)14-5-3-4-6-15(14)20-2/h3-9H,1-2H3
InChIKey
KZVKNCSICDJLID-UHFFFAOYSA-N
Compound name
6-fluoro-3-(2-methoxyphenyl)-2-methylquinazoline-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.07327 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.08055 165.5
[M+Na]+ 323.06249 177.9
[M-H]- 299.06599 170.3
[M+NH4]+ 318.10709 180.4
[M+K]+ 339.03643 171.0
[M+H-H2O]+ 283.07053 156.1
[M+HCOO]- 345.07147 180.6
[M+CH3COO]- 359.08712 177.5
[M+Na-2H]- 321.04794 168.6
[M]+ 300.07272 169.0
[M]- 300.07382 169.0
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.