CID 206327

Brn 0797978

Structural Information

Molecular Formula
C15H11FN2S
SMILES
CC1=NC2=C(C=CC(=C2)F)C(=S)N1C3=CC=CC=C3
InChI
InChI=1S/C15H11FN2S/c1-10-17-14-9-11(16)7-8-13(14)15(19)18(10)12-5-3-2-4-6-12/h2-9H,1H3
InChIKey
YZDLTUMNOGWLKF-UHFFFAOYSA-N
Compound name
7-fluoro-2-methyl-3-phenylquinazoline-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.06268 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06996 158.5
[M+Na]+ 293.05190 175.6
[M+NH4]+ 288.09650 167.8
[M+K]+ 309.02584 164.3
[M-H]- 269.05540 162.6
[M+Na-2H]- 291.03735 167.8
[M]+ 270.06213 162.8
[M]- 270.06323 162.8
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.