CID 14389531

N-ethyl-3-methylbenzenesulfonamide

Structural Information

Molecular Formula
C9H13NO2S
SMILES
CCNS(=O)(=O)C1=CC=CC(=C1)C
InChI
InChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3
InChIKey
BRZYPWBFHXULOO-UHFFFAOYSA-N
Compound name
N-ethyl-3-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

646
Patents

199.0667 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07398 142.6
[M+Na]+ 222.05592 153.8
[M+NH4]+ 217.10052 150.6
[M+K]+ 238.02986 146.2
[M-H]- 198.05942 144.3
[M+Na-2H]- 220.04137 148.6
[M]+ 199.06615 145.0
[M]- 199.06725 145.0
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

patents stripe