PubChemLite - [3-(dimethylamino)propyl][(4-{5-[4-({[3-(dimethylamino)propyl]methylaminooxy}methyl)phenyl](2-furyl)}phenyl)methoxy]methylamine (C30H44N4O3)

Structural Information

Molecular Formula

SMILES

CN(C)CCCN(C)OCC1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)CON(C)CCCN(C)C

InChI

InChI=1S/C30H44N4O3/c1-31(2)19-7-21-33(5)35-23-25-9-13-27(14-10-25)29-17-18-30(37-29)28-15-11-26(12-16-28)24-36-34(6)22-8-20-32(3)4/h9-18H,7-8,19-24H2,1-6H3

InChIKey

BIUKATNYTZWKTP-UHFFFAOYSA-N

Compound name

N'-[[4-[5-[4-[[3-(dimethylamino)propyl-methylamino]oxymethyl]phenyl]furan-2-yl]phenyl]methoxy]-N,N,N'-trimethylpropane-1,3-diamine

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]+	509.34862	236.7
[M+Na]+	531.33056	236.4
[M-H]-	507.33406	250.7
[M+NH4]+	526.37516	244.1
[M+K]+	547.30450	237.3
[M+H-H2O]+	491.33860	223.9
[M+HCOO]-	553.33954	262.9
[M+CH3COO]-	567.35519	267.3
[M+Na-2H]-	529.31601	233.5
[M]+	508.34079	247.2
[M]-	508.34189	247.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

509.34862

236.7

[M+Na]+

531.33056

236.4

[M-H]-

507.33406

250.7

[M+NH4]+

526.37516

244.1

[M+K]+

547.30450

237.3

[M+H-H2O]+

491.33860

223.9

[M+HCOO]-

553.33954

262.9

[M+CH3COO]-

567.35519

267.3

[M+Na-2H]-

529.31601

233.5

[M]+

508.34079

247.2

[M]-

508.34189

247.2

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

[3-(dimethylamino)propyl][(4-{5-[4-({[3-(dimethylamino)propyl]methylaminooxy}methyl)phenyl](2-furyl)}phenyl)methoxy]methylamine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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