CID 363140

N-(2-tert-butylphenyl)benzenesulfonamide

Structural Information

Molecular Formula
C16H19NO2S
SMILES
CC(C)(C)C1=CC=CC=C1NS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H19NO2S/c1-16(2,3)14-11-7-8-12-15(14)17-20(18,19)13-9-5-4-6-10-13/h4-12,17H,1-3H3
InChIKey
MLNNBGLQJAYKRO-UHFFFAOYSA-N
Compound name
N-(2-tert-butylphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

289.11365 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.12093 166.4
[M+Na]+ 312.10287 173.7
[M-H]- 288.10637 173.3
[M+NH4]+ 307.14747 182.2
[M+K]+ 328.07681 169.1
[M+H-H2O]+ 272.11091 159.3
[M+HCOO]- 334.11185 183.7
[M+CH3COO]- 348.12750 200.4
[M+Na-2H]- 310.08832 171.9
[M]+ 289.11310 168.4
[M]- 289.11420 168.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.