PubChemLite - 4,4'-furan-2,5-diylbis{n-[6-(dimethylamino)hexyl]benzenecarboximidamide} (C34H50N6O)

Structural Information

Molecular Formula

SMILES

CN(C)CCCCCCN=C(C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)C(=NCCCCCCN(C)C)N)N

InChI

InChI=1S/C34H50N6O/c1-39(2)25-11-7-5-9-23-37-33(35)29-17-13-27(14-18-29)31-21-22-32(41-31)28-15-19-30(20-16-28)34(36)38-24-10-6-8-12-26-40(3)4/h13-22H,5-12,23-26H2,1-4H3,(H2,35,37)(H2,36,38)

InChIKey

VKNVWHZHEWKHLO-UHFFFAOYSA-N

Compound name

N'-[6-(dimethylamino)hexyl]-4-[5-[4-[N'-[6-(dimethylamino)hexyl]carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide

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]+	559.41188	252.8
[M+Na]+	581.39382	250.2
[M-H]-	557.39732	265.0
[M+NH4]+	576.43842	257.2
[M+K]+	597.36776	247.7
[M+H-H2O]+	541.40186	239.1
[M+HCOO]-	603.40280	278.3
[M+CH3COO]-	617.41845	281.1
[M+Na-2H]-	579.37927	246.9
[M]+	558.40405	257.1
[M]-	558.40515	257.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

559.41188

252.8

[M+Na]+

581.39382

250.2

[M-H]-

557.39732

265.0

[M+NH4]+

576.43842

257.2

[M+K]+

597.36776

247.7

[M+H-H2O]+

541.40186

239.1

[M+HCOO]-

603.40280

278.3

[M+CH3COO]-

617.41845

281.1

[M+Na-2H]-

579.37927

246.9

[M]+

558.40405

257.1

[M]-

558.40515

257.1

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

4,4'-furan-2,5-diylbis{n-[6-(dimethylamino)hexyl]benzenecarboximidamide}

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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