PubChemLite - 2-amino-n-[2-[[1-[(4-ethylphenyl)methyl]-4-piperidyl]methylamino]-2-oxo-ethyl]-5-iodo-benzamide (C24H31IN4O2)

Structural Information

Molecular Formula

SMILES

CCC1=CC=C(C=C1)CN2CCC(CC2)CNC(=O)CNC(=O)C3=C(C=CC(=C3)I)N

InChI

InChI=1S/C24H31IN4O2/c1-2-17-3-5-19(6-4-17)16-29-11-9-18(10-12-29)14-27-23(30)15-28-24(31)21-13-20(25)7-8-22(21)26/h3-8,13,18H,2,9-12,14-16,26H2,1H3,(H,27,30)(H,28,31)

InChIKey

DTPHWDIXMYTKDK-UHFFFAOYSA-N

Compound name

2-amino-N-[2-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]-5-iodobenzamide

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]+	535.15648	221.3
[M+Na]+	557.13842	215.2
[M-H]-	533.14192	219.8
[M+NH4]+	552.18302	223.3
[M+K]+	573.11236	215.8
[M+H-H2O]+	517.14646	206.1
[M+HCOO]-	579.14740	233.4
[M+CH3COO]-	593.16305	242.1
[M+Na-2H]-	555.12387	206.6
[M]+	534.14865	213.2
[M]-	534.14975	213.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

535.15648

221.3

[M+Na]+

557.13842

215.2

[M-H]-

533.14192

219.8

[M+NH4]+

552.18302

223.3

[M+K]+

573.11236

215.8

[M+H-H2O]+

517.14646

206.1

[M+HCOO]-

579.14740

233.4

[M+CH3COO]-

593.16305

242.1

[M+Na-2H]-

555.12387

206.6

[M]+

534.14865

213.2

[M]-

534.14975

213.2

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

2-amino-n-[2-[[1-[(4-ethylphenyl)methyl]-4-piperidyl]methylamino]-2-oxo-ethyl]-5-iodo-benzamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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