CID 3074353

Methyl 1-(4-methyl-3-pentenyl)-4-((1-oxopropyl)phenylamino)-3-piperidinecarboxylate

Structural Information

Molecular Formula

C₂₂H₃₂N₂O₃

SMILES

CCC(=O)N(C1CCN(CC1C(=O)OC)CCC=C(C)C)C2=CC=CC=C2

InChI

InChI=1S/C22H32N2O3/c1-5-21(25)24(18-11-7-6-8-12-18)20-13-15-23(14-9-10-17(2)3)16-19(20)22(26)27-4/h6-8,10-12,19-20H,5,9,13-16H2,1-4H3

InChIKey

XOHLMCMFSJPISL-UHFFFAOYSA-N

Compound name

methyl 1-(4-methylpent-3-enyl)-4-(N-propanoylanilino)piperidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 372.2413 Da
Monoisotopic Mass: 3.8
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]+	373.248576	193.9
[M+Na]+	395.230518	195.1
[M-H]-	371.234024	198.6
[M+NH4]+	390.275123	204.4
[M+K]+	411.204458	192.8
[M+H-H2O]+	355.238560	184.2
[M+HCOO]-	417.239501	209.7
[M+CH3COO]-	431.255151	224.6
[M+Na-2H]-	393.215966	189.8
[M]+	372.24075142	193.5
[M]-	372.24184858	193.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.