CID 24846721

89752-57-8

Structural Information

Molecular Formula
C18H15ClN2O3S2
SMILES
COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CNC3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C18H15ClN2O3S2/c1-24-15-8-11(2-7-14(15)22)9-16-17(23)21(18(25)26-16)10-20-13-5-3-12(19)4-6-13/h2-9,20,22H,10H2,1H3/b16-9+
InChIKey
JSTILHZJNGRLNX-CXUHLZMHSA-N
Compound name
(5E)-3-[(4-chloroanilino)methyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.02127 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.02855 192.1
[M+Na]+ 429.01049 204.5
[M+NH4]+ 424.05509 199.3
[M+K]+ 444.98443 194.7
[M-H]- 405.01399 196.7
[M+Na-2H]- 426.99594 197.5
[M]+ 406.02072 196.2
[M]- 406.02182 196.2
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.