PubChemLite - 3,4,3',4'-tetraphenyl-1,1'-ethandiylbispyrol-2,5-dione (C34H24N2O4)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C2=C(C(=O)N(C2=O)CCN3C(=O)C(=C(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C34H24N2O4/c37-31-27(23-13-5-1-6-14-23)28(24-15-7-2-8-16-24)32(38)35(31)21-22-36-33(39)29(25-17-9-3-10-18-25)30(34(36)40)26-19-11-4-12-20-26/h1-20H,21-22H2

InChIKey

HIPDKXFLKKDZRS-UHFFFAOYSA-N

Compound name

1-[2-(2,5-dioxo-3,4-diphenylpyrrol-1-yl)ethyl]-3,4-diphenylpyrrole-2,5-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]+	525.18088	229.7
[M+Na]+	547.16282	236.8
[M-H]-	523.16632	246.5
[M+NH4]+	542.20742	234.5
[M+K]+	563.13676	228.4
[M+H-H2O]+	507.17086	216.4
[M+HCOO]-	569.17180	248.6
[M+CH3COO]-	583.18745	237.3
[M+Na-2H]-	545.14827	222.1
[M]+	524.17305	229.9
[M]-	524.17415	229.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

525.18088

229.7

[M+Na]+

547.16282

236.8

[M-H]-

523.16632

246.5

[M+NH4]+

542.20742

234.5

[M+K]+

563.13676

228.4

[M+H-H2O]+

507.17086

216.4

[M+HCOO]-

569.17180

248.6

[M+CH3COO]-

583.18745

237.3

[M+Na-2H]-

545.14827

222.1

[M]+

524.17305

229.9

[M]-

524.17415

229.9

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

3,4,3',4'-tetraphenyl-1,1'-ethandiylbispyrol-2,5-dione

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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