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

476
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

literature stripe

Patent stripe

patents stripe