CID 981627

311787-96-9

Structural Information

Molecular Formula
C21H15FN2OS
SMILES
C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)F
InChI
InChI=1S/C21H15FN2OS/c22-16-12-10-15(11-13-16)14-26-21-23-19-9-5-4-8-18(19)20(25)24(21)17-6-2-1-3-7-17/h1-13H,14H2
InChIKey
YPXYUNKUPUBRAK-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methylsulfanyl]-3-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

362.0889 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.09618 183.6
[M+Na]+ 385.07812 194.3
[M-H]- 361.08162 190.5
[M+NH4]+ 380.12272 194.8
[M+K]+ 401.05206 185.6
[M+H-H2O]+ 345.08616 172.1
[M+HCOO]- 407.08710 198.3
[M+CH3COO]- 421.10275 193.8
[M+Na-2H]- 383.06357 187.3
[M]+ 362.08835 185.5
[M]- 362.08945 185.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.