CID 6444562

Brn 0825284

Structural Information

Molecular Formula
C17H11ClN2O2S
SMILES
C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)N2)C(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C17H11ClN2O2S/c18-13-9-5-4-8-12(13)15(21)20-16(22)14(19-17(20)23)10-11-6-2-1-3-7-11/h1-10H,(H,19,23)/b14-10-
InChIKey
OJKIIZBTIUUZHR-UVTDQMKNSA-N
Compound name
(5Z)-5-benzylidene-3-(2-chlorobenzoyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.02298 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.03026 178.4
[M+Na]+ 365.01220 188.2
[M-H]- 341.01570 184.9
[M+NH4]+ 360.05680 191.8
[M+K]+ 380.98614 179.5
[M+H-H2O]+ 325.02024 171.0
[M+HCOO]- 387.02118 187.7
[M+CH3COO]- 401.03683 188.6
[M+Na-2H]- 362.99765 175.0
[M]+ 342.02243 178.5
[M]- 342.02353 178.5
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.