PubChemLite - Sodium ionophore iii (C34H52N2O4)

Structural Information

Molecular Formula

SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)COC3=CC=CC=C3OCC(=O)N(C4CCCCC4)C5CCCCC5

InChI

InChI=1S/C34H52N2O4/c37-33(35(27-15-5-1-6-16-27)28-17-7-2-8-18-28)25-39-31-23-13-14-24-32(31)40-26-34(38)36(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h13-14,23-24,27-30H,1-12,15-22,25-26H2

InChIKey

GKRBLFCTFPAHMH-UHFFFAOYSA-N

Compound name

N,N-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamide

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]+	553.39998	239.0
[M+Na]+	575.38192	243.7
[M+NH4]+	570.42652	245.1
[M+K]+	591.35586	236.6
[M-H]-	551.38542	248.2
[M+Na-2H]-	573.36737	244.2
[M]+	552.39215	241.7
[M]-	552.39325	241.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

553.39998

239.0

[M+Na]+

575.38192

243.7

[M+NH4]+

570.42652

245.1

[M+K]+

591.35586

236.6

[M-H]-

551.38542

248.2

[M+Na-2H]-

573.36737

244.2

[M]+

552.39215

241.7

[M]-

552.39325

241.7

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

Sodium ionophore iii

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe