CID 315810

312704-63-5

Structural Information

Molecular Formula
C17H20N2O3S
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C17H20N2O3S/c1-17(2,3)13-6-4-12(5-7-13)16(20)19-14-8-10-15(11-9-14)23(18,21)22/h4-11H,1-3H3,(H,19,20)(H2,18,21,22)
InChIKey
JNCGPUJPMPRVLW-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-(4-sulfamoylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

332.11948 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.126756 177.0
[M+Na]+ 355.108698 183.3
[M-H]- 331.112204 183.3
[M+NH4]+ 350.153303 190.3
[M+K]+ 371.082638 178.9
[M+H-H2O]+ 315.116740 169.5
[M+HCOO]- 377.117681 193.5
[M+CH3COO]- 391.133331 210.7
[M+Na-2H]- 353.094146 180.3
[M]+ 332.11893142 177.9
[M]- 332.12002858 177.9
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.