CID 6450568

4-imidazolidinone, 3-(2-chlorobenzoyl)-5-((4-methylphenyl)methylene)-2-thioxo-

Structural Information

Molecular Formula
C18H13ClN2O2S
SMILES
CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)N2)C(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C18H13ClN2O2S/c1-11-6-8-12(9-7-11)10-15-17(23)21(18(24)20-15)16(22)13-4-2-3-5-14(13)19/h2-10H,1H3,(H,20,24)/b15-10-
InChIKey
FZMGOXCVUZLBDR-GDNBJRDFSA-N
Compound name
(5Z)-3-(2-chlorobenzoyl)-5-[(4-methylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.03864 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.045916 182.6
[M+Na]+ 379.027858 192.7
[M-H]- 355.031364 189.2
[M+NH4]+ 374.072463 195.6
[M+K]+ 395.001798 183.8
[M+H-H2O]+ 339.035900 175.2
[M+HCOO]- 401.036841 191.4
[M+CH3COO]- 415.052491 192.7
[M+Na-2H]- 377.013306 178.0
[M]+ 356.03809142 183.4
[M]- 356.03918858 183.4
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.