PubChemLite - 5-[(2r)-2-[bis[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide hydrochloride (C30H40N2O7S)

Structural Information

Molecular Formula

SMILES

CCOC1=CC=CC=C1OCCN(CCOC2=CC=CC=C2OCC)[C@H](C)CC3=CC(=C(C=C3)OC)S(=O)(=O)N

InChI

InChI=1S/C30H40N2O7S/c1-5-36-25-11-7-9-13-27(25)38-19-17-32(18-20-39-28-14-10-8-12-26(28)37-6-2)23(3)21-24-15-16-29(35-4)30(22-24)40(31,33)34/h7-16,22-23H,5-6,17-21H2,1-4H3,(H2,31,33,34)/t23-/m1/s1

InChIKey

OTXBFJHUSODSBC-HSZRJFAPSA-N

Compound name

5-[(2R)-2-[bis[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide

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]+	573.26288	239.5
[M+Na]+	595.24482	240.5
[M-H]-	571.24832	248.1
[M+NH4]+	590.28942	242.3
[M+K]+	611.21876	238.2
[M+H-H2O]+	555.25286	227.1
[M+HCOO]-	617.25380	255.1
[M+CH3COO]-	631.26945	260.3
[M+Na-2H]-	593.23027	237.7
[M]+	572.25505	250.6
[M]-	572.25615	250.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

573.26288

239.5

[M+Na]+

595.24482

240.5

[M-H]-

571.24832

248.1

[M+NH4]+

590.28942

242.3

[M+K]+

611.21876

238.2

[M+H-H2O]+

555.25286

227.1

[M+HCOO]-

617.25380

255.1

[M+CH3COO]-

631.26945

260.3

[M+Na-2H]-

593.23027

237.7

[M]+

572.25505

250.6

[M]-

572.25615

250.6

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

5-[(2r)-2-[bis[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide hydrochloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe