CID 3004692

Nsc659527

Structural Information

Molecular Formula
C18H14Cl2N2O3S2
SMILES
C1C(=O)NC(=S)N1/C=C(/C2=CC=C(C=C2)Cl)\S(=O)(=O)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H14Cl2N2O3S2/c19-14-5-1-12(2-6-14)11-27(24,25)16(13-3-7-15(20)8-4-13)9-22-10-17(23)21-18(22)26/h1-9H,10-11H2,(H,21,23,26)/b16-9-
InChIKey
GCRFJQSLWJDEMU-SXGWCWSVSA-N
Compound name
1-[(Z)-2-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfonyl]ethenyl]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.9823 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.98958 197.7
[M+Na]+ 462.97152 206.9
[M-H]- 438.97502 203.5
[M+NH4]+ 458.01612 207.8
[M+K]+ 478.94546 197.4
[M+H-H2O]+ 422.97956 192.0
[M+HCOO]- 484.98050 195.5
[M+CH3COO]- 498.99615 216.4
[M+Na-2H]- 460.95697 193.5
[M]+ 439.98175 200.4
[M]- 439.98285 200.4
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.