CID 3008919

Chembl292894

Structural Information

Molecular Formula

C₃₀H₃₅N₃O

SMILES

CC1(CCN(CC1)C(=O)C2=CC=CC=C2)N3CCC(CC3)N(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H35N3O/c1-30(19-23-31(24-20-30)29(34)25-11-5-2-6-12-25)32-21-17-28(18-22-32)33(26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-16,28H,17-24H2,1H3

InChIKey

FMYPVSDFWPESIY-UHFFFAOYSA-N

Compound name

[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 453.278 Da
Monoisotopic Mass: 6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	454.285276	214.6
[M+Na]+	476.267218	213.5
[M-H]-	452.270724	225.1
[M+NH4]+	471.311823	219.8
[M+K]+	492.241158	207.3
[M+H-H2O]+	436.275260	198.8
[M+HCOO]-	498.276201	226.2
[M+CH3COO]-	512.291851	219.0
[M+Na-2H]-	474.252666	213.2
[M]+	453.27745142	204.4
[M]-	453.27854858	204.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.