CID 566326

Bukjtepmncqynq-uhfffaoysa-n

Structural Information

Molecular Formula
C20H18F6N2O
SMILES
C1CCN2COC(C2C1)C3=CC(=NC(=C3)C(F)(F)F)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C20H18F6N2O/c21-19(22,23)14-6-4-12(5-7-14)15-9-13(10-17(27-15)20(24,25)26)18-16-3-1-2-8-28(16)11-29-18/h4-7,9-10,16,18H,1-3,8,11H2
InChIKey
BUKJTEPMNCQYNQ-UHFFFAOYSA-N
Compound name
1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.13232 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.139596 197.0
[M+Na]+ 439.121538 204.7
[M-H]- 415.125044 197.4
[M+NH4]+ 434.166143 205.7
[M+K]+ 455.095478 198.3
[M+H-H2O]+ 399.129580 182.5
[M+HCOO]- 461.130521 202.2
[M+CH3COO]- 475.146171 222.6
[M+Na-2H]- 437.106986 195.7
[M]+ 416.13177142 186.2
[M]- 416.13286858 186.2
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

No patent data available for this compound.