CID 1237172

5-(4-diethylaminobenzylidene)rhodanine

Structural Information

Molecular Formula
C14H16N2OS2
SMILES
CCN(CC)C1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)S2
InChI
InChI=1S/C14H16N2OS2/c1-3-16(4-2)11-7-5-10(6-8-11)9-12-13(17)15-14(18)19-12/h5-9H,3-4H2,1-2H3,(H,15,17,18)/b12-9+
InChIKey
CWQLQYNQWCTDQF-FMIVXFBMSA-N
Compound name
(5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

304
Patents

292.0704 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.07768 166.8
[M+Na]+ 315.05962 176.4
[M+NH4]+ 310.10422 174.6
[M+K]+ 331.03356 167.8
[M-H]- 291.06312 169.9
[M+Na-2H]- 313.04507 170.6
[M]+ 292.06985 169.8
[M]- 292.07095 169.8
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

patents stripe