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]+ 333.12676 177.0
[M+Na]+ 355.10870 183.3
[M-H]- 331.11220 183.3
[M+NH4]+ 350.15330 190.3
[M+K]+ 371.08264 178.9
[M+H-H2O]+ 315.11674 169.5
[M+HCOO]- 377.11768 193.5
[M+CH3COO]- 391.13333 210.7
[M+Na-2H]- 353.09415 180.3
[M]+ 332.11893 177.9
[M]- 332.12003 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.