CID 14110

N-ethyl-o-toluenesulfonamide

Structural Information

Molecular Formula
C9H13NO2S
SMILES
CCNS(=O)(=O)C1=CC=CC=C1C
InChI
InChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3
InChIKey
NATWUQFQFMZVMT-UHFFFAOYSA-N
Compound name
N-ethyl-2-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2177
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 140.5
[M+Na]+ 222.05592 148.8
[M-H]- 198.05942 144.6
[M+NH4]+ 217.10052 160.2
[M+K]+ 238.02986 145.9
[M+H-H2O]+ 182.06396 134.8
[M+HCOO]- 244.06490 159.9
[M+CH3COO]- 258.08055 183.8
[M+Na-2H]- 220.04137 145.7
[M]+ 199.06615 143.0
[M]- 199.06725 143.0
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