CID 458904

N,n'-diphenyl-1,3-benzenedisulfonamide

Structural Information

Molecular Formula
C18H16N2O4S2
SMILES
C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3
InChI
InChI=1S/C18H16N2O4S2/c21-25(22,19-15-8-3-1-4-9-15)17-12-7-13-18(14-17)26(23,24)20-16-10-5-2-6-11-16/h1-14,19-20H
InChIKey
FOZNSDFKNPUWBO-UHFFFAOYSA-N
Compound name
1-N,3-N-diphenylbenzene-1,3-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

388.05515 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.06243 187.5
[M+Na]+ 411.04437 194.0
[M-H]- 387.04787 196.1
[M+NH4]+ 406.08897 197.8
[M+K]+ 427.01831 186.9
[M+H-H2O]+ 371.05241 178.6
[M+HCOO]- 433.05335 201.6
[M+CH3COO]- 447.06900 215.3
[M+Na-2H]- 409.02982 194.8
[M]+ 388.05460 188.6
[M]- 388.05570 188.6
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