CID 244768

4545-18-0

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCCCC2

InChI

InChI=1S/C13H18N2O2S/c1-11-7-9-13(10-8-11)18(16,17)15-14-12-5-3-2-4-6-12/h7-10,15H,2-6H2,1H3

InChIKey

WMCVYCATQIGYIO-UHFFFAOYSA-N

Compound name

N-(cyclohexylideneamino)-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 266.1089 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]+	267.11618	159.1
[M+Na]+	289.09812	169.0
[M+NH4]+	284.14272	167.1
[M+K]+	305.07206	160.8
[M-H]-	265.10162	163.4
[M+Na-2H]-	287.08357	166.3
[M]+	266.10835	162.0
[M]-	266.10945	162.0

Literature stripe

literature stripe

Patent stripe

patents stripe