CID 1205307

300818-96-6

Structural Information

Molecular Formula
C18H13ClN2O4S2
SMILES
COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=CC=C3Cl)O
InChI
InChI=1S/C18H13ClN2O4S2/c1-25-14-8-10(6-7-13(14)22)9-15-17(24)21(18(26)27-15)20-16(23)11-4-2-3-5-12(11)19/h2-9,22H,1H3,(H,20,23)/b15-9-
InChIKey
ZUFSEPBTEKSEOZ-DHDCSXOGSA-N
Compound name
2-chloro-N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.00052 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.00780 194.4
[M+Na]+ 442.98974 205.9
[M+NH4]+ 438.03434 200.6
[M+K]+ 458.96368 197.4
[M-H]- 418.99324 198.1
[M+Na-2H]- 440.97519 199.1
[M]+ 419.99997 198.0
[M]- 420.00107 198.0
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.