CID 6447112

Brn 0827620

Structural Information

Molecular Formula
C17H13ClN2O2S
SMILES
COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)N2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C17H13ClN2O2S/c1-22-14-7-5-11(6-8-14)9-15-16(21)20(17(23)19-15)13-4-2-3-12(18)10-13/h2-10H,1H3,(H,19,23)/b15-9-
InChIKey
IBISVKPWVKBBKI-DHDCSXOGSA-N
Compound name
(5Z)-3-(3-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.03864 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.04592 179.5
[M+Na]+ 367.02786 194.2
[M+NH4]+ 362.07246 187.0
[M+K]+ 383.00180 185.6
[M-H]- 343.03136 183.6
[M+Na-2H]- 365.01331 186.2
[M]+ 344.03809 183.4
[M]- 344.03919 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.