PubChemLite - 3-furancarboxamide, n-[2-[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]amino]-2-oxoethyl]-5-methyl-2-(trifluoromethyl)- (C22H25ClF3N3O3)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(O1)C(F)(F)F)C(=O)NCC(=O)NCC2CCN(CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClF3N3O3/c1-14-10-18(20(32-14)22(24,25)26)21(31)28-12-19(30)27-11-15-6-8-29(9-7-15)13-16-2-4-17(23)5-3-16/h2-5,10,15H,6-9,11-13H2,1H3,(H,27,30)(H,28,31)

InChIKey

AGHRDHJDQMIECM-UHFFFAOYSA-N

Compound name

N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]-5-methyl-2-(trifluoromethyl)furan-3-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]+	472.16094	211.6
[M+Na]+	494.14288	216.0
[M-H]-	470.14638	215.9
[M+NH4]+	489.18748	218.7
[M+K]+	510.11682	210.5
[M+H-H2O]+	454.15092	200.2
[M+HCOO]-	516.15186	220.5
[M+CH3COO]-	530.16751	236.6
[M+Na-2H]-	492.12833	207.9
[M]+	471.15311	208.9
[M]-	471.15421	208.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

472.16094

211.6

[M+Na]+

494.14288

216.0

[M-H]-

470.14638

215.9

[M+NH4]+

489.18748

218.7

[M+K]+

510.11682

210.5

[M+H-H2O]+

454.15092

200.2

[M+HCOO]-

516.15186

220.5

[M+CH3COO]-

530.16751

236.6

[M+Na-2H]-

492.12833

207.9

[M]+

471.15311

208.9

[M]-

471.15421

208.9

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

3-furancarboxamide, n-[2-[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]amino]-2-oxoethyl]-5-methyl-2-(trifluoromethyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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