CID 3034543

35778-58-6

Structural Information

Molecular Formula
C14H16N2OS2
SMILES
CCN(CC)C1=CC=C(C=C1)C=C2C(=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)
InChIKey
CWQLQYNQWCTDQF-UHFFFAOYSA-N
Compound name
5-[[4-(diethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

324
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 165.9
[M+Na]+ 315.05962 173.5
[M-H]- 291.06312 171.0
[M+NH4]+ 310.10422 182.6
[M+K]+ 331.03356 167.0
[M+H-H2O]+ 275.06766 159.2
[M+HCOO]- 337.06860 176.8
[M+CH3COO]- 351.08425 201.4
[M+Na-2H]- 313.04507 162.2
[M]+ 292.06985 166.0
[M]- 292.07095 166.0
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.