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

literature stripe

Patent stripe

patents stripe