CID 363139

N-(2-tert-butylphenyl)-4-methylbenzenesulfonamide

Structural Information

Molecular Formula
C17H21NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(C)(C)C
InChI
InChI=1S/C17H21NO2S/c1-13-9-11-14(12-10-13)21(19,20)18-16-8-6-5-7-15(16)17(2,3)4/h5-12,18H,1-4H3
InChIKey
GUNSTMJVFNEAIB-UHFFFAOYSA-N
Compound name
N-(2-tert-butylphenyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.1293 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.13658 170.4
[M+Na]+ 326.11852 178.0
[M-H]- 302.12202 177.4
[M+NH4]+ 321.16312 185.9
[M+K]+ 342.09246 173.3
[M+H-H2O]+ 286.12656 163.2
[M+HCOO]- 348.12750 187.3
[M+CH3COO]- 362.14315 204.6
[M+Na-2H]- 324.10397 174.8
[M]+ 303.12875 173.1
[M]- 303.12985 173.1
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.