CID 63271

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

Structural Information

Molecular Formula
C17H10ClF3N2O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)CC(=O)C(F)(F)F)C3=CC=CC=C3Cl
InChI
InChI=1S/C17H10ClF3N2O2/c18-11-6-2-4-8-13(11)23-15(9-14(24)17(19,20)21)22-12-7-3-1-5-10(12)16(23)25/h1-8H,9H2
InChIKey
JGQOCMJMTQGXER-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-2-(3,3,3-trifluoro-2-oxopropyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

366.0383 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.04558 178.5
[M+Na]+ 389.02752 190.3
[M-H]- 365.03102 180.1
[M+NH4]+ 384.07212 190.2
[M+K]+ 405.00146 182.6
[M+H-H2O]+ 349.03556 167.0
[M+HCOO]- 411.03650 189.1
[M+CH3COO]- 425.05215 213.5
[M+Na-2H]- 387.01297 182.6
[M]+ 366.03775 179.2
[M]- 366.03885 179.2
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