CID 1241606

5-(p-methoxybenzylidene)rhodanine

Structural Information

Molecular Formula
C11H9NO2S2
SMILES
COC1=CC=C(C=C1)/C=C\2/C(=O)NC(=S)S2
InChI
InChI=1S/C11H9NO2S2/c1-14-8-4-2-7(3-5-8)6-9-10(13)12-11(15)16-9/h2-6H,1H3,(H,12,13,15)/b9-6-
InChIKey
ORGCJYCWFZQEFX-TWGQIWQCSA-N
Compound name
(5Z)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

29
Patents

251.00748 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.014756 153.1
[M+Na]+ 273.996698 162.8
[M-H]- 250.000204 157.5
[M+NH4]+ 269.041303 171.2
[M+K]+ 289.970638 156.3
[M+H-H2O]+ 234.004740 147.6
[M+HCOO]- 296.005681 164.1
[M+CH3COO]- 310.021331 186.5
[M+Na-2H]- 271.982146 150.8
[M]+ 251.00693142 153.2
[M]- 251.00802858 153.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe