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 170.9
[M+Na]+ 340.07446 177.4
[M-H]- 316.07796 174.1
[M+NH4]+ 335.11906 186.4
[M+K]+ 356.04840 171.9
[M+H-H2O]+ 300.08250 165.1
[M+HCOO]- 362.08344 183.6
[M+CH3COO]- 376.09909 204.6
[M+Na-2H]- 338.05991 172.4
[M]+ 317.08469 177.3
[M]- 317.08579 177.3
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.