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]+ 333.08455 174.0
[M+Na]+ 355.06649 184.2
[M-H]- 331.06999 175.4
[M+NH4]+ 350.11109 185.8
[M+K]+ 371.04043 177.8
[M+H-H2O]+ 315.07453 161.9
[M+HCOO]- 377.07547 189.1
[M+CH3COO]- 391.09112 208.7
[M+Na-2H]- 353.05194 179.1
[M]+ 332.07672 171.9
[M]- 332.07782 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