CID 63152

Brn 0685257

Structural Information

Molecular Formula
C15H10F2N2OS
SMILES
C1=CC=C(C=C1)C2=NC(=O)NC3=C2C=C(C=C3)SC(F)F
InChI
InChI=1S/C15H10F2N2OS/c16-14(17)21-10-6-7-12-11(8-10)13(19-15(20)18-12)9-4-2-1-3-5-9/h1-8,14H,(H,18,19,20)
InChIKey
OJZOQFOCMUIHOG-UHFFFAOYSA-N
Compound name
6-(difluoromethylsulfanyl)-4-phenyl-1H-quinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

304.0482 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.05548 162.7
[M+Na]+ 327.03742 173.0
[M-H]- 303.04092 164.1
[M+NH4]+ 322.08202 175.9
[M+K]+ 343.01136 165.4
[M+H-H2O]+ 287.04546 152.7
[M+HCOO]- 349.04640 174.6
[M+CH3COO]- 363.06205 173.1
[M+Na-2H]- 325.02287 165.9
[M]+ 304.04765 161.7
[M]- 304.04875 161.7
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.