CID 6448368

3-((4-methyl-1-piperazinyl)methyl)-5-(3-phenyl-2-propenylidene)-2-thioxo-4-thiazolidinone

Structural Information

Molecular Formula
C18H21N3OS2
SMILES
CN1CCN(CC1)CN2C(=O)/C(=C\C=C\C3=CC=CC=C3)/SC2=S
InChI
InChI=1S/C18H21N3OS2/c1-19-10-12-20(13-11-19)14-21-17(22)16(24-18(21)23)9-5-8-15-6-3-2-4-7-15/h2-9H,10-14H2,1H3/b8-5+,16-9+
InChIKey
OJKUCELCGIGWAP-ZCPHBQKFSA-N
Compound name
(5E)-3-[(4-methylpiperazin-1-yl)methyl]-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1126 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.11988 184.5
[M+Na]+ 382.10182 195.3
[M+NH4]+ 377.14642 191.5
[M+K]+ 398.07576 185.3
[M-H]- 358.10532 187.9
[M+Na-2H]- 380.08727 188.3
[M]+ 359.11205 187.7
[M]- 359.11315 187.7
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.