CID 2277683

6372-92-5

Structural Information

Molecular Formula
C21H20ClNO3S2
SMILES
CCN1C(=O)/C(=C/C2=CC=CC=C2OCCOC3=CC(=C(C=C3)Cl)C)/SC1=S
InChI
InChI=1S/C21H20ClNO3S2/c1-3-23-20(24)19(28-21(23)27)13-15-6-4-5-7-18(15)26-11-10-25-16-8-9-17(22)14(2)12-16/h4-9,12-13H,3,10-11H2,1-2H3/b19-13-
InChIKey
JLLUPBJSXHWDLQ-UYRXBGFRSA-N
Compound name
(5Z)-5-[[2-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl]methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.0573 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.06458 200.2
[M+Na]+ 456.04652 209.8
[M-H]- 432.05002 208.8
[M+NH4]+ 451.09112 212.7
[M+K]+ 472.02046 201.1
[M+H-H2O]+ 416.05456 193.4
[M+HCOO]- 478.05550 206.6
[M+CH3COO]- 492.07115 223.1
[M+Na-2H]- 454.03197 194.1
[M]+ 433.05675 207.3
[M]- 433.05785 207.3
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.