CID 6435315

Brn 0827931

Structural Information

Molecular Formula
C17H13ClN2O2S
SMILES
COC1=CC=CC(=C1)/C=C\2/C(=O)N(C(=S)N2)C3=CC=CC=C3Cl
InChI
InChI=1S/C17H13ClN2O2S/c1-22-12-6-4-5-11(9-12)10-14-16(21)20(17(23)19-14)15-8-3-2-7-13(15)18/h2-10H,1H3,(H,19,23)/b14-10-
InChIKey
OEFKUZNPYLQYEK-UVTDQMKNSA-N
Compound name
(5Z)-3-(2-chlorophenyl)-5-[(3-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 179.1
[M+Na]+ 367.02786 189.7
[M-H]- 343.03136 185.7
[M+NH4]+ 362.07246 192.7
[M+K]+ 383.00180 181.1
[M+H-H2O]+ 327.03590 171.6
[M+HCOO]- 389.03684 189.1
[M+CH3COO]- 403.05249 189.7
[M+Na-2H]- 365.01331 175.9
[M]+ 344.03809 180.9
[M]- 344.03919 180.9
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.