CID 511306

Chembl106369

Structural Information

Molecular Formula
C28H38N2O2
SMILES
CC1=C(C(=CC=C1)C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)CC4=CC=C(C=C4)OC
InChI
InChI=1S/C28H38N2O2/c1-21-6-5-7-22(2)26(21)27(31)29-18-14-28(3,15-19-29)30-16-12-24(13-17-30)20-23-8-10-25(32-4)11-9-23/h5-11,24H,12-20H2,1-4H3
InChIKey
LKDCAIVJHAMVHC-UHFFFAOYSA-N
Compound name
(2,6-dimethylphenyl)-[4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

434.29333 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.30061 213.0
[M+Na]+ 457.28255 215.1
[M-H]- 433.28605 220.7
[M+NH4]+ 452.32715 220.7
[M+K]+ 473.25649 209.3
[M+H-H2O]+ 417.29059 199.8
[M+HCOO]- 479.29153 223.1
[M+CH3COO]- 493.30718 231.8
[M+Na-2H]- 455.26800 208.4
[M]+ 434.29278 207.2
[M]- 434.29388 207.2
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

No patent data available for this compound.