PubChemLite - (3-morpholin-4-ylpropyl)({4-[5-(4-{[(3-morpholin-4-ylpropyl)aminooxy]methyl}phenyl)(2-furyl)]phenyl}methoxy)amine (C32H44N4O5)

Structural Information

Molecular Formula

SMILES

C1COCCN1CCCNOCC2=CC=C(C=C2)C3=CC=C(O3)C4=CC=C(C=C4)CONCCCN5CCOCC5

InChI

InChI=1S/C32H44N4O5/c1(15-35-17-21-37-22-18-35)13-33-39-25-27-3-7-29(8-4-27)31-11-12-32(41-31)30-9-5-28(6-10-30)26-40-34-14-2-16-36-19-23-38-24-20-36/h3-12,33-34H,1-2,13-26H2

InChIKey

VRDVDICQBLKCCD-UHFFFAOYSA-N

Compound name

3-morpholin-4-yl-N-[[4-[5-[4-[(3-morpholin-4-ylpropylamino)oxymethyl]phenyl]furan-2-yl]phenyl]methoxy]propan-1-amine

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]+	565.33848	234.6
[M+Na]+	587.32042	231.1
[M-H]-	563.32392	245.6
[M+NH4]+	582.36502	230.7
[M+K]+	603.29436	229.1
[M+H-H2O]+	547.32846	220.0
[M+HCOO]-	609.32940	245.7
[M+CH3COO]-	623.34505	237.4
[M+Na-2H]-	585.30587	232.3
[M]+	564.33065	233.1
[M]-	564.33175	233.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

565.33848

234.6

[M+Na]+

587.32042

231.1

[M-H]-

563.32392

245.6

[M+NH4]+

582.36502

230.7

[M+K]+

603.29436

229.1

[M+H-H2O]+

547.32846

220.0

[M+HCOO]-

609.32940

245.7

[M+CH3COO]-

623.34505

237.4

[M+Na-2H]-

585.30587

232.3

[M]+

564.33065

233.1

[M]-

564.33175

233.1

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

(3-morpholin-4-ylpropyl)({4-[5-(4-{[(3-morpholin-4-ylpropyl)aminooxy]methyl}phenyl)(2-furyl)]phenyl}methoxy)amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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