CID 5340781

40739-81-9

Structural Information

Molecular Formula

C₁₅H₁₆N₂O₂S

SMILES

CC1=CC=C(C=C1)/C=N/NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C15H16N2O2S/c1-12-3-7-14(8-4-12)11-16-17-20(18,19)15-9-5-13(2)6-10-15/h3-11,17H,1-2H3/b16-11+

InChIKey

ZCEQOHNBFVBUNC-LFIBNONCSA-N

Compound name

4-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 288.09326 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

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]+	289.10054	165.7
[M+Na]+	311.08248	178.3
[M+NH4]+	306.12708	173.5
[M+K]+	327.05642	169.1
[M-H]-	287.08598	170.6
[M+Na-2H]-	309.06793	174.6
[M]+	288.09271	169.3
[M]-	288.09381	169.3

Literature stripe

literature stripe

Patent stripe

patents stripe