PubChemLite - 2-pyrrolidinecarboxamide, n-[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]-1-[(2,5-dimethyl-3-furanyl)carbonyl]- (C25H32ClN3O3)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(O1)C)C(=O)N2CCCC2C(=O)NCC3CCN(CC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H32ClN3O3/c1-17-14-22(18(2)32-17)25(31)29-11-3-4-23(29)24(30)27-15-19-9-12-28(13-10-19)16-20-5-7-21(26)8-6-20/h5-8,14,19,23H,3-4,9-13,15-16H2,1-2H3,(H,27,30)

InChIKey

XHVLNCFSAIVRGR-UHFFFAOYSA-N

Compound name

N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(2,5-dimethylfuran-3-carbonyl)pyrrolidine-2-carboxamide

Related CIDs

2D Structure

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]+	458.22051	215.3
[M+Na]+	480.20245	218.3
[M-H]-	456.20595	225.1
[M+NH4]+	475.24705	223.3
[M+K]+	496.17639	213.2
[M+H-H2O]+	440.21049	205.4
[M+HCOO]-	502.21143	224.6
[M+CH3COO]-	516.22708	233.2
[M+Na-2H]-	478.18790	206.5
[M]+	457.21268	214.2
[M]-	457.21378	214.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

458.22051

215.3

[M+Na]+

480.20245

218.3

[M-H]-

456.20595

225.1

[M+NH4]+

475.24705

223.3

[M+K]+

496.17639

213.2

[M+H-H2O]+

440.21049

205.4

[M+HCOO]-

502.21143

224.6

[M+CH3COO]-

516.22708

233.2

[M+Na-2H]-

478.18790

206.5

[M]+

457.21268

214.2

[M]-

457.21378

214.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2-pyrrolidinecarboxamide, n-[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]-1-[(2,5-dimethyl-3-furanyl)carbonyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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