PubChemLite - 4-cyano-n-[3-[(5,5-dibenzyl-4-hydroxy-2-oxo-3-furyl)methyl]phenyl]benzenesulfonamide (C32H26N2O5S)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)CC2(C(=C(C(=O)O2)CC3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C#N)O)CC5=CC=CC=C5

InChI

InChI=1S/C32H26N2O5S/c33-22-25-14-16-28(17-15-25)40(37,38)34-27-13-7-12-26(18-27)19-29-30(35)32(39-31(29)36,20-23-8-3-1-4-9-23)21-24-10-5-2-6-11-24/h1-18,34-35H,19-21H2

InChIKey

SONPGCLQWJCOIB-UHFFFAOYSA-N

Compound name

4-cyano-N-[3-[(5,5-dibenzyl-4-hydroxy-2-oxofuran-3-yl)methyl]phenyl]benzenesulfonamide

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]+	551.16353	249.9
[M+Na]+	573.14547	259.5
[M-H]-	549.14897	261.2
[M+NH4]+	568.19007	254.3
[M+K]+	589.11941	249.8
[M+H-H2O]+	533.15351	233.2
[M+HCOO]-	595.15445	261.1
[M+CH3COO]-	609.17010	254.6
[M+Na-2H]-	571.13092	248.2
[M]+	550.15570	247.2
[M]-	550.15680	247.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

551.16353

249.9

[M+Na]+

573.14547

259.5

[M-H]-

549.14897

261.2

[M+NH4]+

568.19007

254.3

[M+K]+

589.11941

249.8

[M+H-H2O]+

533.15351

233.2

[M+HCOO]-

595.15445

261.1

[M+CH3COO]-

609.17010

254.6

[M+Na-2H]-

571.13092

248.2

[M]+

550.15570

247.2

[M]-

550.15680

247.2

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

4-cyano-n-[3-[(5,5-dibenzyl-4-hydroxy-2-oxo-3-furyl)methyl]phenyl]benzenesulfonamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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