CID 6481339

N1,n3-bis(p-tolyl)benzene-1,3-disulfonamide

Structural Information

Molecular Formula
C20H20N2O4S2
SMILES
CC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)C
InChI
InChI=1S/C20H20N2O4S2/c1-15-6-10-17(11-7-15)21-27(23,24)19-4-3-5-20(14-19)28(25,26)22-18-12-8-16(2)9-13-18/h3-14,21-22H,1-2H3
InChIKey
NQSKOCQDXCOSJX-UHFFFAOYSA-N
Compound name
1-N,3-N-bis(4-methylphenyl)benzene-1,3-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
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

No literature data available for this compound.

Patent stripe

patents stripe