PubChemLite - 3-furancarboxamide, n-[2-[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]amino]-1-methyl-2-oxoethyl]-5-methyl-2-(trifluoromethyl)- (C23H27ClF3N3O3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C23H27ClF3N3O3/c1-14-11-19(20(33-14)23(25,26)27)22(32)29-15(2)21(31)28-12-16-7-9-30(10-8-16)13-17-3-5-18(24)6-4-17/h3-6,11,15-16H,7-10,12-13H2,1-2H3,(H,28,31)(H,29,32)

InChIKey

BNNSINUSKZVLRY-UHFFFAOYSA-N

Compound name

N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-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]+	486.17658	215.5
[M+Na]+	508.15852	219.1
[M-H]-	484.16202	219.8
[M+NH4]+	503.20312	222.0
[M+K]+	524.13246	214.1
[M+H-H2O]+	468.16656	204.2
[M+HCOO]-	530.16750	223.1
[M+CH3COO]-	544.18315	240.5
[M+Na-2H]-	506.14397	210.3
[M]+	485.16875	212.7
[M]-	485.16985	212.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

486.17658

215.5

[M+Na]+

508.15852

219.1

[M-H]-

484.16202

219.8

[M+NH4]+

503.20312

222.0

[M+K]+

524.13246

214.1

[M+H-H2O]+

468.16656

204.2

[M+HCOO]-

530.16750

223.1

[M+CH3COO]-

544.18315

240.5

[M+Na-2H]-

506.14397

210.3

[M]+

485.16875

212.7

[M]-

485.16985

212.7

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]-1-methyl-2-oxoethyl]-5-methyl-2-(trifluoromethyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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