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]+ 349.11583 180.5
[M+Na]+ 371.09777 191.3
[M-H]- 347.10127 181.1
[M+NH4]+ 366.14237 191.6
[M+K]+ 387.07171 184.6
[M+H-H2O]+ 331.10581 168.9
[M+HCOO]- 393.10675 193.5
[M+CH3COO]- 407.12240 212.6
[M+Na-2H]- 369.08322 183.1
[M]+ 348.10800 178.4
[M]- 348.10910 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