CID 53402973

7-hydroxy-2-isopropyl-3-(4-(trifluoromethyl)phenyl)quinazolin-4(3h)-one

Structural Information

Molecular Formula
C18H15F3N2O2
SMILES
CC(C)C1=NC2=C(C=CC(=C2)O)C(=O)N1C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C18H15F3N2O2/c1-10(2)16-22-15-9-13(24)7-8-14(15)17(25)23(16)12-5-3-11(4-6-12)18(19,20)21/h3-10,24H,1-2H3
InChIKey
BQCYMHBVGHVCTM-UHFFFAOYSA-N
Compound name
7-hydroxy-2-propan-2-yl-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

348.10855 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.115826 180.5
[M+Na]+ 371.097768 191.3
[M-H]- 347.101274 181.1
[M+NH4]+ 366.142373 191.6
[M+K]+ 387.071708 184.6
[M+H-H2O]+ 331.105810 168.9
[M+HCOO]- 393.106751 193.5
[M+CH3COO]- 407.122401 212.6
[M+Na-2H]- 369.083216 183.1
[M]+ 348.10800142 178.4
[M]- 348.10909858 178.4
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

patents stripe