CID 3008908

Chembl61466

Structural Information

Molecular Formula
C26H34ClN3O
SMILES
CC1=C(C(=CC=C1)C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H34ClN3O/c1-19-5-4-6-20(2)24(19)25(31)29-17-13-26(3,14-18-29)30-15-11-23(12-16-30)28-22-9-7-21(27)8-10-22/h4-10,23,28H,11-18H2,1-3H3
InChIKey
AQZFFMQBFOQLGR-UHFFFAOYSA-N
Compound name
[4-[4-(4-chloroanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

439.23904 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.24632 211.2
[M+Na]+ 462.22826 214.3
[M-H]- 438.23176 218.9
[M+NH4]+ 457.27286 219.4
[M+K]+ 478.20220 206.9
[M+H-H2O]+ 422.23630 198.7
[M+HCOO]- 484.23724 218.4
[M+CH3COO]- 498.25289 217.0
[M+Na-2H]- 460.21371 207.8
[M]+ 439.23849 205.3
[M]- 439.23959 205.3
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.