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
2
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]+ 370.09300 185.6
[M+Na]+ 392.07494 192.8
[M-H]- 368.07844 195.8
[M+NH4]+ 387.11954 198.3
[M+K]+ 408.04888 185.5
[M+H-H2O]+ 352.08298 176.7
[M+HCOO]- 414.08392 199.7
[M+CH3COO]- 428.09957 214.7
[M+Na-2H]- 390.06039 188.7
[M]+ 369.08517 188.0
[M]- 369.08627 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.