PubChemLite - Benzamide, n-[2-[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]amino]-1,1-dimethyl-2-oxoethyl]-3-fluoro-5-(trifluoromethyl)- (C25H28ClF4N3O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C25H28ClF4N3O2/c1-24(2,32-22(34)18-11-19(25(28,29)30)13-21(27)12-18)23(35)31-14-16-7-9-33(10-8-16)15-17-3-5-20(26)6-4-17/h3-6,11-13,16H,7-10,14-15H2,1-2H3,(H,31,35)(H,32,34)

InChIKey

GQXYWDUZTAMXDI-UHFFFAOYSA-N

Compound name

N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-2-methyl-1-oxopropan-2-yl]-3-fluoro-5-(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]+	514.18788	220.3
[M+Na]+	536.16982	224.0
[M-H]-	512.17332	222.0
[M+NH4]+	531.21442	225.1
[M+K]+	552.14376	216.6
[M+H-H2O]+	496.17786	207.2
[M+HCOO]-	558.17880	225.4
[M+CH3COO]-	572.19445	246.3
[M+Na-2H]-	534.15527	217.5
[M]+	513.18005	214.2
[M]-	513.18115	214.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

514.18788

220.3

[M+Na]+

536.16982

224.0

[M-H]-

512.17332

222.0

[M+NH4]+

531.21442

225.1

[M+K]+

552.14376

216.6

[M+H-H2O]+

496.17786

207.2

[M+HCOO]-

558.17880

225.4

[M+CH3COO]-

572.19445

246.3

[M+Na-2H]-

534.15527

217.5

[M]+

513.18005

214.2

[M]-

513.18115

214.2

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]-1,1-dimethyl-2-oxoethyl]-3-fluoro-5-(trifluoromethyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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