PubChemLite - 5-[[4-(diphenylamino)phenyl]methylene]-3-[2-(4-methoxyphenyl)ethyl]-2,4-oxazolidinedione (C31H26N2O4)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)CCN2C(=O)C(=CC3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC=C5)OC2=O

InChI

InChI=1S/C31H26N2O4/c1-36-28-18-14-23(15-19-28)20-21-32-30(34)29(37-31(32)35)22-24-12-16-27(17-13-24)33(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-19,22H,20-21H2,1H3

InChIKey

KFDWPRGNNZISIW-UHFFFAOYSA-N

Compound name

3-[2-(4-methoxyphenyl)ethyl]-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidine-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]+	491.19655	222.1
[M+Na]+	513.17849	226.7
[M-H]-	489.18199	237.7
[M+NH4]+	508.22309	226.9
[M+K]+	529.15243	221.5
[M+H-H2O]+	473.18653	208.8
[M+HCOO]-	535.18747	242.2
[M+CH3COO]-	549.20312	229.9
[M+Na-2H]-	511.16394	219.7
[M]+	490.18872	223.2
[M]-	490.18982	223.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.19655

222.1

[M+Na]+

513.17849

226.7

[M-H]-

489.18199

237.7

[M+NH4]+

508.22309

226.9

[M+K]+

529.15243

221.5

[M+H-H2O]+

473.18653

208.8

[M+HCOO]-

535.18747

242.2

[M+CH3COO]-

549.20312

229.9

[M+Na-2H]-

511.16394

219.7

[M]+

490.18872

223.2

[M]-

490.18982

223.2

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

5-[[4-(diphenylamino)phenyl]methylene]-3-[2-(4-methoxyphenyl)ethyl]-2,4-oxazolidinedione

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe