CID 77279

3695-00-9

Structural Information

Molecular Formula
C14H15NO4S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NS(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C14H15NO4S2/c1-11-3-7-13(8-4-11)20(16,17)15-21(18,19)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3
InChIKey
LHWZLUXODWUHLZ-UHFFFAOYSA-N
Compound name
4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

568
Patents

325.04425 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.05153 171.9
[M+Na]+ 348.03347 180.4
[M-H]- 324.03697 178.5
[M+NH4]+ 343.07807 186.0
[M+K]+ 364.00741 174.5
[M+H-H2O]+ 308.04151 164.7
[M+HCOO]- 370.04245 184.8
[M+CH3COO]- 384.05810 203.5
[M+Na-2H]- 346.01892 176.5
[M]+ 325.04370 175.5
[M]- 325.04480 175.5
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.