PubChemLite - 1-cyclohexyl-n-[4-(2,5-dioxoimidazolidin-1-yl)cyclohexyl]-2-(3-furyl)benzimidazole-5-carboxamide (C27H31N5O4)

Structural Information

Molecular Formula

SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N5C(=O)CNC5=O)N=C2C6=COC=C6

InChI

InChI=1S/C27H31N5O4/c33-24-15-28-27(35)32(24)21-9-7-19(8-10-21)29-26(34)17-6-11-23-22(14-17)30-25(18-12-13-36-16-18)31(23)20-4-2-1-3-5-20/h6,11-14,16,19-21H,1-5,7-10,15H2,(H,28,35)(H,29,34)

InChIKey

KJKOUPRNXQEGOQ-UHFFFAOYSA-N

Compound name

1-cyclohexyl-N-[4-(2,5-dioxoimidazolidin-1-yl)cyclohexyl]-2-(furan-3-yl)benzimidazole-5-carboxamide

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]+	490.24488	211.8
[M+Na]+	512.22682	213.7
[M-H]-	488.23032	222.6
[M+NH4]+	507.27142	216.1
[M+K]+	528.20076	208.7
[M+H-H2O]+	472.23486	201.1
[M+HCOO]-	534.23580	221.2
[M+CH3COO]-	548.25145	217.2
[M+Na-2H]-	510.21227	202.4
[M]+	489.23705	204.9
[M]-	489.23815	204.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

490.24488

211.8

[M+Na]+

512.22682

213.7

[M-H]-

488.23032

222.6

[M+NH4]+

507.27142

216.1

[M+K]+

528.20076

208.7

[M+H-H2O]+

472.23486

201.1

[M+HCOO]-

534.23580

221.2

[M+CH3COO]-

548.25145

217.2

[M+Na-2H]-

510.21227

202.4

[M]+

489.23705

204.9

[M]-

489.23815

204.9

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

1-cyclohexyl-n-[4-(2,5-dioxoimidazolidin-1-yl)cyclohexyl]-2-(3-furyl)benzimidazole-5-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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