CID 457672

Chembl108569

Structural Information

Molecular Formula
C26H33BrN2O2
SMILES
CC1=C(C(=CC=C1)C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)OC4=CC=C(C=C4)Br
InChI
InChI=1S/C26H33BrN2O2/c1-19-5-4-6-20(2)24(19)25(30)28-17-13-26(3,14-18-28)29-15-11-23(12-16-29)31-22-9-7-21(27)8-10-22/h4-10,23H,11-18H2,1-3H3
InChIKey
URLJOVIBMPWIOI-UHFFFAOYSA-N
Compound name
[4-[4-(4-bromophenoxy)piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

484.17255 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.17983 213.6
[M+Na]+ 507.16177 218.8
[M-H]- 483.16527 223.7
[M+NH4]+ 502.20637 223.5
[M+K]+ 523.13571 206.8
[M+H-H2O]+ 467.16981 208.7
[M+HCOO]- 529.17075 222.6
[M+CH3COO]- 543.18640 221.3
[M+Na-2H]- 505.14722 211.2
[M]+ 484.17200 226.4
[M]- 484.17310 226.4
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.