PubChemLite - Benzamide, n-[2-oxo-2-[[[1-[[4-[(phenylamino)carbonyl]phenyl]methyl]-4-piperidinyl]methyl]amino]ethyl]-3-(trifluoromethyl)- (C30H31F3N4O3)

Structural Information

Molecular Formula

SMILES

C1CN(CCC1CNC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C30H31F3N4O3/c31-30(32,33)25-6-4-5-24(17-25)28(39)35-19-27(38)34-18-21-13-15-37(16-14-21)20-22-9-11-23(12-10-22)29(40)36-26-7-2-1-3-8-26/h1-12,17,21H,13-16,18-20H2,(H,34,38)(H,35,39)(H,36,40)

InChIKey

MRXJQILGQCMHQM-UHFFFAOYSA-N

Compound name

N-[2-oxo-2-[[1-[[4-(phenylcarbamoyl)phenyl]methyl]piperidin-4-yl]methylamino]ethyl]-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]+	553.24208	229.7
[M+Na]+	575.22402	229.0
[M-H]-	551.22752	234.6
[M+NH4]+	570.26862	230.1
[M+K]+	591.19796	222.7
[M+H-H2O]+	535.23206	214.3
[M+HCOO]-	597.23300	241.7
[M+CH3COO]-	611.24865	256.1
[M+Na-2H]-	573.20947	227.7
[M]+	552.23425	220.8
[M]-	552.23535	220.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

553.24208

229.7

[M+Na]+

575.22402

229.0

[M-H]-

551.22752

234.6

[M+NH4]+

570.26862

230.1

[M+K]+

591.19796

222.7

[M+H-H2O]+

535.23206

214.3

[M+HCOO]-

597.23300

241.7

[M+CH3COO]-

611.24865

256.1

[M+Na-2H]-

573.20947

227.7

[M]+

552.23425

220.8

[M]-

552.23535

220.8

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

Benzamide, n-[2-oxo-2-[[[1-[[4-[(phenylamino)carbonyl]phenyl]methyl]-4-piperidinyl]methyl]amino]ethyl]-3-(trifluoromethyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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