PubChemLite - Octanamide, n-[4-[[(aminocarbonyl)amino][4-(diethylamino)-2-methylphenyl]methyl]-2-methoxyphenyl]- (C28H42N4O3)

Structural Information

Molecular Formula

SMILES

CCCCCCCC(=O)NC1=C(C=C(C=C1)C(C2=C(C=C(C=C2)N(CC)CC)C)NC(=O)N)OC

InChI

InChI=1S/C28H42N4O3/c1-6-9-10-11-12-13-26(33)30-24-17-14-21(19-25(24)35-5)27(31-28(29)34)23-16-15-22(18-20(23)4)32(7-2)8-3/h14-19,27H,6-13H2,1-5H3,(H,30,33)(H3,29,31,34)

InChIKey

HEJFNWZYRUFCJN-UHFFFAOYSA-N

Compound name

N-[4-[(carbamoylamino)-[4-(diethylamino)-2-methylphenyl]methyl]-2-methoxyphenyl]octanamide

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]+	483.33296	227.2
[M+Na]+	505.31490	227.3
[M-H]-	481.31840	233.2
[M+NH4]+	500.35950	233.8
[M+K]+	521.28884	224.7
[M+H-H2O]+	465.32294	216.1
[M+HCOO]-	527.32388	248.5
[M+CH3COO]-	541.33953	257.5
[M+Na-2H]-	503.30035	221.5
[M]+	482.32513	230.8
[M]-	482.32623	230.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.33296

227.2

[M+Na]+

505.31490

227.3

[M-H]-

481.31840

233.2

[M+NH4]+

500.35950

233.8

[M+K]+

521.28884

224.7

[M+H-H2O]+

465.32294

216.1

[M+HCOO]-

527.32388

248.5

[M+CH3COO]-

541.33953

257.5

[M+Na-2H]-

503.30035

221.5

[M]+

482.32513

230.8

[M]-

482.32623

230.8

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

Octanamide, n-[4-[[(aminocarbonyl)amino][4-(diethylamino)-2-methylphenyl]methyl]-2-methoxyphenyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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