CID 6444562

4-imidazolidinone, 3-(2-chlorobenzoyl)-5-(phenylmethylene)-2-thioxo-

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]+ 343.030256 178.4
[M+Na]+ 365.012198 188.2
[M-H]- 341.015704 184.9
[M+NH4]+ 360.056803 191.8
[M+K]+ 380.986138 179.5
[M+H-H2O]+ 325.020240 171.0
[M+HCOO]- 387.021181 187.7
[M+CH3COO]- 401.036831 188.6
[M+Na-2H]- 362.997646 175.0
[M]+ 342.02243142 178.5
[M]- 342.02352858 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.