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 193.7
[M+Na]+ 442.98974 202.7
[M-H]- 418.99324 201.4
[M+NH4]+ 438.03434 205.3
[M+K]+ 458.96368 194.2
[M+H-H2O]+ 402.99778 187.7
[M+HCOO]- 464.99872 199.8
[M+CH3COO]- 479.01437 219.1
[M+Na-2H]- 440.97519 189.3
[M]+ 419.99997 197.6
[M]- 420.00107 197.6
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.