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 157.0
[M+Na]+ 293.05190 169.3
[M-H]- 269.05540 161.6
[M+NH4]+ 288.09650 172.9
[M+K]+ 309.02584 161.9
[M+H-H2O]+ 253.05994 147.8
[M+HCOO]- 315.06088 172.3
[M+CH3COO]- 329.07653 169.3
[M+Na-2H]- 291.03735 161.3
[M]+ 270.06213 158.3
[M]- 270.06323 158.3
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.