CID 64034

4(3h)-quinazolinone, 3-phenyl-2-(3,3,3-trifluoro-2-oxopropyl)-

Structural Information

Molecular Formula
C17H11F3N2O2
SMILES
C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CC(=O)C(F)(F)F
InChI
InChI=1S/C17H11F3N2O2/c18-17(19,20)14(23)10-15-21-13-9-5-4-8-12(13)16(24)22(15)11-6-2-1-3-7-11/h1-9H,10H2
InChIKey
ZQEDMZFESMPTPZ-UHFFFAOYSA-N
Compound name
3-phenyl-2-(3,3,3-trifluoro-2-oxopropyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

332.07727 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.084546 174.0
[M+Na]+ 355.066488 184.2
[M-H]- 331.069994 175.4
[M+NH4]+ 350.111093 185.8
[M+K]+ 371.040428 177.8
[M+H-H2O]+ 315.074530 161.9
[M+HCOO]- 377.075471 189.1
[M+CH3COO]- 391.091121 208.7
[M+Na-2H]- 353.051936 179.1
[M]+ 332.07672142 171.9
[M]- 332.07781858 171.9
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

patents stripe