CID 483731

(3,5-dichloro-4-pyridyl)-[4-methyl-4-[4-[2-pyridyloxy-[4-(trifluoromethyl)phenyl]methyl]-1-piperidyl]-1-piperidyl]methanone

Structural Information

Molecular Formula
C30H31Cl2F3N4O2
SMILES
CC1(CCN(CC1)C(=O)C2=C(C=NC=C2Cl)Cl)N3CCC(CC3)C(C4=CC=C(C=C4)C(F)(F)F)OC5=CC=CC=N5
InChI
InChI=1S/C30H31Cl2F3N4O2/c1-29(11-16-38(17-12-29)28(40)26-23(31)18-36-19-24(26)32)39-14-9-21(10-15-39)27(41-25-4-2-3-13-37-25)20-5-7-22(8-6-20)30(33,34)35/h2-8,13,18-19,21,27H,9-12,14-17H2,1H3
InChIKey
ZCIVKTWHIIZMSF-UHFFFAOYSA-N
Compound name
(3,5-dichloropyridin-4-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

606.1776 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.18488 238.8
[M+Na]+ 629.16682 242.3
[M-H]- 605.17032 241.9
[M+NH4]+ 624.21142 237.3
[M+K]+ 645.14076 233.4
[M+H-H2O]+ 589.17486 220.1
[M+HCOO]- 651.17580 231.6
[M+CH3COO]- 665.19145 240.1
[M+Na-2H]- 627.15227 233.5
[M]+ 606.17705 232.4
[M]- 606.17815 232.4
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

No patent data available for this compound.