PubChemLite - 1h-benzimidazole-5-carboximidamide, 2,2'-(2,5-benzofurandiyl)bis[n-cyclopentyl- (C34H34N8O)

Structural Information

Molecular Formula

SMILES

C1CCC(C1)N=C(C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)OC(=C5)C6=NC7=C(N6)C=C(C=C7)C(=NC8CCCC8)N)N

InChI

InChI=1S/C34H34N8O/c35-31(37-23-5-1-2-6-23)19-9-12-25-27(16-19)41-33(39-25)21-11-14-29-22(15-21)18-30(43-29)34-40-26-13-10-20(17-28(26)42-34)32(36)38-24-7-3-4-8-24/h9-18,23-24H,1-8H2,(H2,35,37)(H2,36,38)(H,39,41)(H,40,42)

InChIKey

HLIWJKFSJROQLG-UHFFFAOYSA-N

Compound name

N'-cyclopentyl-2-[2-[6-(N'-cyclopentylcarbamimidoyl)-1H-benzimidazol-2-yl]-1-benzofuran-5-yl]-3H-benzimidazole-5-carboximidamide

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]+	571.29288	207.0
[M+Na]+	593.27482	210.7
[M-H]-	569.27832	224.1
[M+NH4]+	588.31942	214.0
[M+K]+	609.24876	206.1
[M+H-H2O]+	553.28286	199.8
[M+HCOO]-	615.28380	225.8
[M+CH3COO]-	629.29945	214.4
[M+Na-2H]-	591.26027	201.2
[M]+	570.28505	206.5
[M]-	570.28615	206.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

571.29288

207.0

[M+Na]+

593.27482

210.7

[M-H]-

569.27832

224.1

[M+NH4]+

588.31942

214.0

[M+K]+

609.24876

206.1

[M+H-H2O]+

553.28286

199.8

[M+HCOO]-

615.28380

225.8

[M+CH3COO]-

629.29945

214.4

[M+Na-2H]-

591.26027

201.2

[M]+

570.28505

206.5

[M]-

570.28615

206.5

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

1h-benzimidazole-5-carboximidamide, 2,2'-(2,5-benzofurandiyl)bis[n-cyclopentyl-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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