CID 5507476

62468-60-4

Structural Information

Molecular Formula
C18H15ClN2O2S
SMILES
CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)Cl)/NC2=S
InChI
InChI=1S/C18H15ClN2O2S/c1-2-23-15-9-7-14(8-10-15)21-17(22)16(20-18(21)24)11-12-3-5-13(19)6-4-12/h3-11H,2H2,1H3,(H,20,24)/b16-11-
InChIKey
ZFBQCBANUASZJS-WJDWOHSUSA-N
Compound name
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-ethoxyphenyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.0543 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.06158 183.8
[M+Na]+ 381.04352 198.4
[M+NH4]+ 376.08812 191.2
[M+K]+ 397.01746 189.5
[M-H]- 357.04702 187.9
[M+Na-2H]- 379.02897 190.3
[M]+ 358.05375 187.8
[M]- 358.05485 187.8
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.