PubChemLite - 2,4-oxazolidinedione, 5-[[4-(diphenylamino)phenyl]methylene]-3-(2-phenylethyl)- (C30H24N2O3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H24N2O3/c33-29-28(35-30(34)31(29)21-20-23-10-4-1-5-11-23)22-24-16-18-27(19-17-24)32(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-19,22H,20-21H2/b28-22-

InChIKey

YOMJKKAFDBCCMA-SLMZUGIISA-N

Compound name

(5Z)-5-[[4-(N-phenylanilino)phenyl]methylidene]-3-(2-phenylethyl)-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]+	461.18596	214.5
[M+Na]+	483.16790	219.0
[M-H]-	459.17140	229.8
[M+NH4]+	478.21250	220.4
[M+K]+	499.14184	213.1
[M+H-H2O]+	443.17594	201.5
[M+HCOO]-	505.17688	234.9
[M+CH3COO]-	519.19253	222.6
[M+Na-2H]-	481.15335	213.2
[M]+	460.17813	213.6
[M]-	460.17923	213.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

461.18596

214.5

[M+Na]+

483.16790

219.0

[M-H]-

459.17140

229.8

[M+NH4]+

478.21250

220.4

[M+K]+

499.14184

213.1

[M+H-H2O]+

443.17594

201.5

[M+HCOO]-

505.17688

234.9

[M+CH3COO]-

519.19253

222.6

[M+Na-2H]-

481.15335

213.2

[M]+

460.17813

213.6

[M]-

460.17923

213.6

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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