PubChemLite - Benzamide, n-[2-[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]amino]-1-methyl-2-oxoethyl]-4-fluoro-3-(trifluoromethyl)- (C24H26ClF4N3O2)

Structural Information

Molecular Formula

SMILES

CC(C(=O)NCC1CCN(CC1)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC(=C(C=C3)F)C(F)(F)F

InChI

InChI=1S/C24H26ClF4N3O2/c1-15(31-23(34)18-4-7-21(26)20(12-18)24(27,28)29)22(33)30-13-16-8-10-32(11-9-16)14-17-2-5-19(25)6-3-17/h2-7,12,15-16H,8-11,13-14H2,1H3,(H,30,33)(H,31,34)

InChIKey

GNHOARIKKXHUQH-UHFFFAOYSA-N

Compound name

N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide

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]+	500.17226	215.8
[M+Na]+	522.15420	219.4
[M-H]-	498.15770	217.4
[M+NH4]+	517.19880	221.0
[M+K]+	538.12814	212.0
[M+H-H2O]+	482.16224	202.5
[M+HCOO]-	544.16318	222.0
[M+CH3COO]-	558.17883	243.8
[M+Na-2H]-	520.13965	211.3
[M]+	499.16443	209.5
[M]-	499.16553	209.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

500.17226

215.8

[M+Na]+

522.15420

219.4

[M-H]-

498.15770

217.4

[M+NH4]+

517.19880

221.0

[M+K]+

538.12814

212.0

[M+H-H2O]+

482.16224

202.5

[M+HCOO]-

544.16318

222.0

[M+CH3COO]-

558.17883

243.8

[M+Na-2H]-

520.13965

211.3

[M]+

499.16443

209.5

[M]-

499.16553

209.5

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe