CID 483729

(2,4-dimethyl-3-pyridyl)-[4-methyl-4-[4-[2-pyridyloxy-[4-(trifluoromethyl)phenyl]methyl]-1-piperidyl]-1-piperidyl]methanone

Structural Information

Molecular Formula
C32H37F3N4O2
SMILES
CC1=C(C(=NC=C1)C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)C(C4=CC=C(C=C4)C(F)(F)F)OC5=CC=CC=N5
InChI
InChI=1S/C32H37F3N4O2/c1-22-11-17-36-23(2)28(22)30(40)38-20-14-31(3,15-21-38)39-18-12-25(13-19-39)29(41-27-6-4-5-16-37-27)24-7-9-26(10-8-24)32(33,34)35/h4-11,16-17,25,29H,12-15,18-21H2,1-3H3
InChIKey
BCQORMKNCSYEBI-UHFFFAOYSA-N
Compound name
(2,4-dimethylpyridin-3-yl)-[4-methyl-4-[4-[pyridin-2-yloxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]piperidin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

566.28687 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.29415 242.7
[M+Na]+ 589.27609 244.2
[M-H]- 565.27959 246.4
[M+NH4]+ 584.32069 241.0
[M+K]+ 605.25003 236.3
[M+H-H2O]+ 549.28413 223.6
[M+HCOO]- 611.28507 243.6
[M+CH3COO]- 625.30072 243.8
[M+Na-2H]- 587.26154 236.8
[M]+ 566.28632 232.3
[M]- 566.28742 232.3
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.