CID 511295

Chembl110786

Structural Information

Molecular Formula
C28H38N2O
SMILES
CC1=CC=C(C=C1)CC2CCN(CC2)C3(CCN(CC3)C(=O)C4=C(C=CC=C4C)C)C
InChI
InChI=1S/C28H38N2O/c1-21-8-10-24(11-9-21)20-25-12-16-30(17-13-25)28(4)14-18-29(19-15-28)27(31)26-22(2)6-5-7-23(26)3/h5-11,25H,12-20H2,1-4H3
InChIKey
KXMNHKYDYLLZNM-UHFFFAOYSA-N
Compound name
(2,6-dimethylphenyl)-[4-methyl-4-[4-[(4-methylphenyl)methyl]piperidin-1-yl]piperidin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

418.2984 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.30568 209.8
[M+Na]+ 441.28762 212.1
[M-H]- 417.29112 217.5
[M+NH4]+ 436.33222 218.2
[M+K]+ 457.26156 205.6
[M+H-H2O]+ 401.29566 196.7
[M+HCOO]- 463.29660 219.7
[M+CH3COO]- 477.31225 215.6
[M+Na-2H]- 439.27307 205.1
[M]+ 418.29785 202.6
[M]- 418.29895 202.6
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.