CID 277909

3-pentanone p-toluenesulfonylhydrazone

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₂S

SMILES

CCC(=NNS(=O)(=O)C1=CC=C(C=C1)C)CC

InChI

InChI=1S/C12H18N2O2S/c1-4-11(5-2)13-14-17(15,16)12-8-6-10(3)7-9-12/h6-9,14H,4-5H2,1-3H3

InChIKey

GUEMDXLIHCONOI-UHFFFAOYSA-N

Compound name

4-methyl-N-(pentan-3-ylideneamino)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 254.1089 Da
Monoisotopic Mass: 2.4
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]+	255.11618	158.7
[M+Na]+	277.09812	168.2
[M+NH4]+	272.14272	165.7
[M+K]+	293.07206	160.8
[M-H]-	253.10162	160.5
[M+Na-2H]-	275.08357	163.9
[M]+	254.10835	160.8
[M]-	254.10945	160.8

Literature stripe

literature stripe

Patent stripe

patents stripe