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 184.9
[M+Na]+ 382.10182 192.0
[M-H]- 358.10532 189.5
[M+NH4]+ 377.14642 196.4
[M+K]+ 398.07576 183.7
[M+H-H2O]+ 342.10986 176.6
[M+HCOO]- 404.11080 190.2
[M+CH3COO]- 418.12645 192.9
[M+Na-2H]- 380.08727 178.2
[M]+ 359.11205 181.8
[M]- 359.11315 181.8
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

No patent data available for this compound.