PubChemLite - 4-[[3-[4-[(4-fluorophenyl)methyl]-1-piperidyl]propyl-phenyl-carbamoyl]amino]benzamide (C29H33FN4O2)

Structural Information

Molecular Formula

SMILES

C1CN(CCC1CC2=CC=C(C=C2)F)CCCN(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C29H33FN4O2/c30-25-11-7-22(8-12-25)21-23-15-19-33(20-16-23)17-4-18-34(27-5-2-1-3-6-27)29(36)32-26-13-9-24(10-14-26)28(31)35/h1-3,5-14,23H,4,15-21H2,(H2,31,35)(H,32,36)

InChIKey

HNLBAZLLVCRBOR-UHFFFAOYSA-N

Compound name

4-[[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl-phenylcarbamoyl]amino]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]+	489.26604	219.5
[M+Na]+	511.24798	218.8
[M-H]-	487.25148	227.8
[M+NH4]+	506.29258	223.0
[M+K]+	527.22192	213.1
[M+H-H2O]+	471.25602	205.2
[M+HCOO]-	533.25696	236.0
[M+CH3COO]-	547.27261	249.1
[M+Na-2H]-	509.23343	217.0
[M]+	488.25821	212.9
[M]-	488.25931	212.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

489.26604

219.5

[M+Na]+

511.24798

218.8

[M-H]-

487.25148

227.8

[M+NH4]+

506.29258

223.0

[M+K]+

527.22192

213.1

[M+H-H2O]+

471.25602

205.2

[M+HCOO]-

533.25696

236.0

[M+CH3COO]-

547.27261

249.1

[M+Na-2H]-

509.23343

217.0

[M]+

488.25821

212.9

[M]-

488.25931

212.9

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

4-[[3-[4-[(4-fluorophenyl)methyl]-1-piperidyl]propyl-phenyl-carbamoyl]amino]benzamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe