PubChemLite - 1-cyclohexyl-n-[3-(2,4-dioxo-1h-quinazolin-3-yl)cyclohexyl]-2-(3-furyl)benzimidazole-5-carboxamide (C32H33N5O4)

Structural Information

Molecular Formula

SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4CCCC(C4)N5C(=O)C6=CC=CC=C6NC5=O)N=C2C7=COC=C7

InChI

InChI=1S/C32H33N5O4/c38-30(33-22-7-6-10-24(18-22)37-31(39)25-11-4-5-12-26(25)35-32(37)40)20-13-14-28-27(17-20)34-29(21-15-16-41-19-21)36(28)23-8-2-1-3-9-23/h4-5,11-17,19,22-24H,1-3,6-10,18H2,(H,33,38)(H,35,40)

InChIKey

PLTIODZCUGEAOG-UHFFFAOYSA-N

Compound name

1-cyclohexyl-N-[3-(2,4-dioxo-1H-quinazolin-3-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]+	552.26051	226.7
[M+Na]+	574.24245	231.2
[M-H]-	550.24595	238.3
[M+NH4]+	569.28705	227.4
[M+K]+	590.21639	223.9
[M+H-H2O]+	534.25049	213.4
[M+HCOO]-	596.25143	236.5
[M+CH3COO]-	610.26708	231.5
[M+Na-2H]-	572.22790	222.1
[M]+	551.25268	222.9
[M]-	551.25378	222.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

552.26051

226.7

[M+Na]+

574.24245

231.2

[M-H]-

550.24595

238.3

[M+NH4]+

569.28705

227.4

[M+K]+

590.21639

223.9

[M+H-H2O]+

534.25049

213.4

[M+HCOO]-

596.25143

236.5

[M+CH3COO]-

610.26708

231.5

[M+Na-2H]-

572.22790

222.1

[M]+

551.25268

222.9

[M]-

551.25378

222.9

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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