CID 6020123

Akos024369133

Structural Information

Molecular Formula
C17H13ClN2O2S
SMILES
C1=CC(=CC(=C1)OCC2=CC=C(C=C2)Cl)/C=C/3\C(=O)NC(=S)N3
InChI
InChI=1S/C17H13ClN2O2S/c18-13-6-4-11(5-7-13)10-22-14-3-1-2-12(8-14)9-15-16(21)20-17(23)19-15/h1-9H,10H2,(H2,19,20,21,23)/b15-9+
InChIKey
LSLNGFZUTDYCNC-OQLLNIDSSA-N
Compound name
(5E)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

344.03864 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.04592 178.8
[M+Na]+ 367.02786 188.0
[M-H]- 343.03136 183.7
[M+NH4]+ 362.07246 191.4
[M+K]+ 383.00180 178.6
[M+H-H2O]+ 327.03590 171.4
[M+HCOO]- 389.03684 187.4
[M+CH3COO]- 403.05249 188.3
[M+Na-2H]- 365.01331 176.0
[M]+ 344.03809 178.4
[M]- 344.03919 178.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.