CID 5959126

Sulfilimine, s-benzyl-s-phenyl-n-(p-tolylsulfonyl)-

Structural Information

Molecular Formula
C20H19NO2S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)/N=S(/CC2=CC=CC=C2)\C3=CC=CC=C3
InChI
InChI=1S/C20H19NO2S2/c1-17-12-14-20(15-13-17)25(22,23)21-24(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-15H,16H2,1H3
InChIKey
YBJPXMZEOZNRRW-UHFFFAOYSA-N
Compound name
(NZ)-N-[benzyl(phenyl)-lambda4-sulfanylidene]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.08572 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.092996 185.6
[M+Na]+ 392.074938 192.8
[M-H]- 368.078444 195.8
[M+NH4]+ 387.119543 198.3
[M+K]+ 408.048878 185.5
[M+H-H2O]+ 352.082980 176.7
[M+HCOO]- 414.083921 199.7
[M+CH3COO]- 428.099571 214.7
[M+Na-2H]- 390.060386 188.7
[M]+ 369.08517142 188.0
[M]- 369.08626858 188.0
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

No patent data available for this compound.