CID 3008907

Chembl61465

Structural Information

Molecular Formula
C26H35N3O
SMILES
CC1=C(C(=CC=C1)C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)NC4=CC=CC=C4
InChI
InChI=1S/C26H35N3O/c1-20-8-7-9-21(2)24(20)25(30)28-18-14-26(3,15-19-28)29-16-12-23(13-17-29)27-22-10-5-4-6-11-22/h4-11,23,27H,12-19H2,1-3H3
InChIKey
MZQMHNMMAJJJCC-UHFFFAOYSA-N
Compound name
[4-(4-anilinopiperidin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

405.278 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.28528 204.4
[M+Na]+ 428.26722 205.8
[M-H]- 404.27072 212.0
[M+NH4]+ 423.31182 212.8
[M+K]+ 444.24116 199.7
[M+H-H2O]+ 388.27526 191.4
[M+HCOO]- 450.27620 216.1
[M+CH3COO]- 464.29185 210.2
[M+Na-2H]- 426.25267 202.2
[M]+ 405.27745 195.6
[M]- 405.27855 195.6
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

patents stripe