PubChemLite - 4-(piperonylideneamino)phenyl sulfone (C28H20N2O6S)

Structural Information

Molecular Formula

SMILES

C1OC2=C(O1)C=C(C=C2)C=NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N=CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H20N2O6S/c31-37(32,23-7-3-21(4-8-23)29-15-19-1-11-25-27(13-19)35-17-33-25)24-9-5-22(6-10-24)30-16-20-2-12-26-28(14-20)36-18-34-26/h1-16H,17-18H2

InChIKey

NNBUKWYBJLNMMF-UHFFFAOYSA-N

Compound name

1-(1,3-benzodioxol-5-yl)-N-[4-[4-(1,3-benzodioxol-5-ylmethylideneamino)phenyl]sulfonylphenyl]methanimine

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]+	513.11148	216.0
[M+Na]+	535.09342	230.6
[M+NH4]+	530.13802	222.9
[M+K]+	551.06736	225.2
[M-H]-	511.09692	229.5
[M+Na-2H]-	533.07887	223.4
[M]+	512.10365	222.6
[M]-	512.10475	222.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

513.11148

216.0

[M+Na]+

535.09342

230.6

[M+NH4]+

530.13802

222.9

[M+K]+

551.06736

225.2

[M-H]-

511.09692

229.5

[M+Na-2H]-

533.07887

223.4

[M]+

512.10365

222.6

[M]-

512.10475

222.6

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

4-(piperonylideneamino)phenyl sulfone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe