CID 3055648

N-(7-chloro-6-oxoheptyl)-4-methylbenzenesulfonamide

Structural Information

Molecular Formula
C14H20ClNO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)CCl
InChI
InChI=1S/C14H20ClNO3S/c1-12-6-8-14(9-7-12)20(18,19)16-10-4-2-3-5-13(17)11-15/h6-9,16H,2-5,10-11H2,1H3
InChIKey
APAHKELLCHULLY-UHFFFAOYSA-N
Compound name
N-(7-chloro-6-oxoheptyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

317.08524 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.09252 173.0
[M+Na]+ 340.07446 183.0
[M+NH4]+ 335.11906 179.4
[M+K]+ 356.04840 174.8
[M-H]- 316.07796 173.4
[M+Na-2H]- 338.05991 176.9
[M]+ 317.08469 175.1
[M]- 317.08579 175.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.