CID 98695

N,n'-1,4-phenylenebis(4-methylbenzenesulfonamide)

Structural Information

Molecular Formula
C20H20N2O4S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C20H20N2O4S2/c1-15-3-11-19(12-4-15)27(23,24)21-17-7-9-18(10-8-17)22-28(25,26)20-13-5-16(2)6-14-20/h3-14,21-22H,1-2H3
InChIKey
ZUNJCQVFMHRTTP-UHFFFAOYSA-N
Compound name
4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

416.08646 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.09374 195.9
[M+Na]+ 439.07568 202.9
[M-H]- 415.07918 204.8
[M+NH4]+ 434.12028 205.6
[M+K]+ 455.04962 195.6
[M+H-H2O]+ 399.08372 186.9
[M+HCOO]- 461.08466 209.2
[M+CH3COO]- 475.10031 223.5
[M+Na-2H]- 437.06113 201.1
[M]+ 416.08591 198.5
[M]- 416.08701 198.5
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