CID 6448367

86650-17-1

Structural Information

Molecular Formula
C18H20N2OS2
SMILES
C1CCN(CC1)CN2C(=O)/C(=C\C=C\C3=CC=CC=C3)/SC2=S
InChI
InChI=1S/C18H20N2OS2/c21-17-16(11-7-10-15-8-3-1-4-9-15)23-18(22)20(17)14-19-12-5-2-6-13-19/h1,3-4,7-11H,2,5-6,12-14H2/b10-7+,16-11+
InChIKey
AXBDMBZRUSMZLZ-RWZRJOGJSA-N
Compound name
(5E)-5-[(E)-3-phenylprop-2-enylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.1017 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.10898 181.2
[M+Na]+ 367.09092 187.5
[M-H]- 343.09442 186.8
[M+NH4]+ 362.13552 194.4
[M+K]+ 383.06486 179.4
[M+H-H2O]+ 327.09896 173.3
[M+HCOO]- 389.09990 187.8
[M+CH3COO]- 403.11555 189.6
[M+Na-2H]- 365.07637 175.3
[M]+ 344.10115 177.2
[M]- 344.10225 177.2
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.