CID 2021236

(5z)-3-cyclohexyl-5-(2-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C17H19NO2S2
SMILES
COC1=CC=CC=C1/C=C\2/C(=O)N(C(=S)S2)C3CCCCC3
InChI
InChI=1S/C17H19NO2S2/c1-20-14-10-6-5-7-12(14)11-15-16(19)18(17(21)22-15)13-8-3-2-4-9-13/h5-7,10-11,13H,2-4,8-9H2,1H3/b15-11-
InChIKey
XAXOEAIHQDRXOH-PTNGSMBKSA-N
Compound name
(5Z)-3-cyclohexyl-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.08572 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.09300 177.1
[M+Na]+ 356.07494 183.8
[M-H]- 332.07844 184.6
[M+NH4]+ 351.11954 192.2
[M+K]+ 372.04888 177.3
[M+H-H2O]+ 316.08298 170.2
[M+HCOO]- 378.08392 185.1
[M+CH3COO]- 392.09957 186.7
[M+Na-2H]- 354.06039 171.6
[M]+ 333.08517 174.9
[M]- 333.08627 174.9
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.