CID 63255

2(1h)-quinazolinone, 6-(difluoromethoxy)-4-phenyl-

Structural Information

Molecular Formula
C15H10F2N2O2
SMILES
C1=CC=C(C=C1)C2=NC(=O)NC3=C2C=C(C=C3)OC(F)F
InChI
InChI=1S/C15H10F2N2O2/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
FVBYUVHTOTYGGP-UHFFFAOYSA-N
Compound name
6-(difluoromethoxy)-4-phenyl-1H-quinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.07104 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07832 161.5
[M+Na]+ 311.06026 171.4
[M-H]- 287.06376 162.9
[M+NH4]+ 306.10486 174.5
[M+K]+ 327.03420 165.1
[M+H-H2O]+ 271.06830 150.5
[M+HCOO]- 333.06924 178.4
[M+CH3COO]- 347.08489 172.2
[M+Na-2H]- 309.04571 167.2
[M]+ 288.07049 159.4
[M]- 288.07159 159.4
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.