PubChemLite - 4-[(4-chlorophenyl)sulfonylamino]-n-[(3-phenoxyphenyl)methylideneamino]benzamide (C26H20ClN3O4S)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)C=NNC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H20ClN3O4S/c27-21-11-15-25(16-12-21)35(32,33)30-22-13-9-20(10-14-22)26(31)29-28-18-19-5-4-8-24(17-19)34-23-6-2-1-3-7-23/h1-18,30H,(H,29,31)

InChIKey

XTELBZSTDMEAFF-UHFFFAOYSA-N

Compound name

4-[(4-chlorophenyl)sulfonylamino]-N-[(3-phenoxyphenyl)methylideneamino]benzamide

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]+	506.09358	218.0
[M+Na]+	528.07552	223.6
[M-H]-	504.07902	231.2
[M+NH4]+	523.12012	224.3
[M+K]+	544.04946	216.5
[M+H-H2O]+	488.08356	207.0
[M+HCOO]-	550.08450	234.4
[M+CH3COO]-	564.10015	243.1
[M+Na-2H]-	526.06097	222.7
[M]+	505.08575	222.8
[M]-	505.08685	222.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

506.09358

218.0

[M+Na]+

528.07552

223.6

[M-H]-

504.07902

231.2

[M+NH4]+

523.12012

224.3

[M+K]+

544.04946

216.5

[M+H-H2O]+

488.08356

207.0

[M+HCOO]-

550.08450

234.4

[M+CH3COO]-

564.10015

243.1

[M+Na-2H]-

526.06097

222.7

[M]+

505.08575

222.8

[M]-

505.08685

222.8

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

4-[(4-chlorophenyl)sulfonylamino]-n-[(3-phenoxyphenyl)methylideneamino]benzamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe