CID 11973780

D8a4z52d1j

Structural Information

Molecular Formula
C25H26F3N3O2
SMILES
CC1=NC2=CC=CC(=C2C(=O)N1C3=CC=C(C=C3)OC4CCN(CC4)C5CCC5)C(F)(F)F
InChI
InChI=1S/C25H26F3N3O2/c1-16-29-22-7-3-6-21(25(26,27)28)23(22)24(32)31(16)18-8-10-19(11-9-18)33-20-12-14-30(15-13-20)17-4-2-5-17/h3,6-11,17,20H,2,4-5,12-15H2,1H3
InChIKey
ZWUFGBNOUKQGBR-UHFFFAOYSA-N
Compound name
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methyl-5-(trifluoromethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

291
Patents

457.19772 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.20500 213.2
[M+Na]+ 480.18694 219.0
[M-H]- 456.19044 217.1
[M+NH4]+ 475.23154 211.9
[M+K]+ 496.16088 214.4
[M+H-H2O]+ 440.19498 192.1
[M+HCOO]- 502.19592 219.9
[M+CH3COO]- 516.21157 218.2
[M+Na-2H]- 478.17239 211.3
[M]+ 457.19717 215.2
[M]- 457.19827 215.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe