CID 261836

N,n'-(2-methyl-1,4-phenylene)bis(benzenesulfonamide)

Structural Information

Molecular Formula
C19H18N2O4S2
SMILES
CC1=C(C=CC(=C1)NS(=O)(=O)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H18N2O4S2/c1-15-14-16(20-26(22,23)17-8-4-2-5-9-17)12-13-19(15)21-27(24,25)18-10-6-3-7-11-18/h2-14,20-21H,1H3
InChIKey
CEZBYXMUFMOPBK-UHFFFAOYSA-N
Compound name
N-[4-(benzenesulfonamido)-3-methylphenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

4
Patents

402.0708 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.07808 191.8
[M+Na]+ 425.06002 198.5
[M-H]- 401.06352 200.5
[M+NH4]+ 420.10462 201.7
[M+K]+ 441.03396 191.3
[M+H-H2O]+ 385.06806 182.8
[M+HCOO]- 447.06900 205.5
[M+CH3COO]- 461.08465 219.4
[M+Na-2H]- 423.04547 198.0
[M]+ 402.07025 193.7
[M]- 402.07135 193.7
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