CID 3004767

Nsc659706

Structural Information

Molecular Formula
C18H16N2O2S2
SMILES
C1C(=O)NC(=S)N1/C=C(/C2=CC=CC=C2)\S(=O)CC3=CC=CC=C3
InChI
InChI=1S/C18H16N2O2S2/c21-17-12-20(18(23)19-17)11-16(15-9-5-2-6-10-15)24(22)13-14-7-3-1-4-8-14/h1-11H,12-13H2,(H,19,21,23)/b16-11-
InChIKey
SKFBFTLUQXENBI-WJDWOHSUSA-N
Compound name
1-[(Z)-2-benzylsulfinyl-2-phenylethenyl]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.0653 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.07258 181.4
[M+Na]+ 379.05452 188.4
[M-H]- 355.05802 186.7
[M+NH4]+ 374.09912 193.1
[M+K]+ 395.02846 180.3
[M+H-H2O]+ 339.06256 173.9
[M+HCOO]- 401.06350 188.9
[M+CH3COO]- 415.07915 190.0
[M+Na-2H]- 377.03997 177.2
[M]+ 356.06475 179.8
[M]- 356.06585 179.8
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.