CID 1206905

5-(o-methoxybenzylidene)rhodanine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

251.00748 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.01476 154.9
[M+Na]+ 273.99670 165.7
[M+NH4]+ 269.04130 163.0
[M+K]+ 289.97064 157.3
[M-H]- 250.00020 157.2
[M+Na-2H]- 271.98215 158.7
[M]+ 251.00693 157.8
[M]- 251.00803 157.8
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