CID 4329528

4-methyl-n-(propan-2-yl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C10H15NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(C)C
InChI
InChI=1S/C10H15NO2S/c1-8(2)11-14(12,13)10-6-4-9(3)5-7-10/h4-8,11H,1-3H3
InChIKey
NXUHAAIJVABUMJ-UHFFFAOYSA-N
Compound name
4-methyl-N-propan-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

156
Patents

213.08235 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08963 144.8
[M+Na]+ 236.07157 152.4
[M-H]- 212.07507 148.9
[M+NH4]+ 231.11617 163.9
[M+K]+ 252.04551 149.8
[M+H-H2O]+ 196.07961 139.0
[M+HCOO]- 258.08055 162.9
[M+CH3COO]- 272.09620 187.7
[M+Na-2H]- 234.05702 148.5
[M]+ 213.08180 147.2
[M]- 213.08290 147.2
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