PubChemLite - 5-(1-ethyl-3-phenethyl-2h-benzimidazol-2-yl)-1,3-diphenyl-imidazolidine-2,4-dione (C32H30N4O2)

Structural Information

Molecular Formula

SMILES

CCN1C(N(C2=CC=CC=C21)CCC3=CC=CC=C3)C4C(=O)N(C(=O)N4C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H30N4O2/c1-2-33-27-20-12-13-21-28(27)34(23-22-24-14-6-3-7-15-24)30(33)29-31(37)36(26-18-10-5-11-19-26)32(38)35(29)25-16-8-4-9-17-25/h3-21,29-30H,2,22-23H2,1H3

InChIKey

TVUQHYXWLXKGPX-UHFFFAOYSA-N

Compound name

5-[1-ethyl-3-(2-phenylethyl)-2H-benzimidazol-2-yl]-1,3-diphenylimidazolidine-2,4-dione

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]+	503.24416	227.2
[M+Na]+	525.22610	233.5
[M-H]-	501.22960	238.5
[M+NH4]+	520.27070	231.7
[M+K]+	541.20004	223.9
[M+H-H2O]+	485.23414	212.9
[M+HCOO]-	547.23508	240.8
[M+CH3COO]-	561.25073	233.3
[M+Na-2H]-	523.21155	220.3
[M]+	502.23633	226.0
[M]-	502.23743	226.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

503.24416

227.2

[M+Na]+

525.22610

233.5

[M-H]-

501.22960

238.5

[M+NH4]+

520.27070

231.7

[M+K]+

541.20004

223.9

[M+H-H2O]+

485.23414

212.9

[M+HCOO]-

547.23508

240.8

[M+CH3COO]-

561.25073

233.3

[M+Na-2H]-

523.21155

220.3

[M]+

502.23633

226.0

[M]-

502.23743

226.0

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

5-(1-ethyl-3-phenethyl-2h-benzimidazol-2-yl)-1,3-diphenyl-imidazolidine-2,4-dione

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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