CID 6448366

3-(4-morpholinylmethyl)-5-(3-phenyl-2-propenylidene)-2-thioxo-4-thiazolidinone

Structural Information

Molecular Formula
C17H18N2O2S2
SMILES
C1COCCN1CN2C(=O)/C(=C\C=C\C3=CC=CC=C3)/SC2=S
InChI
InChI=1S/C17H18N2O2S2/c20-16-15(8-4-7-14-5-2-1-3-6-14)23-17(22)19(16)13-18-9-11-21-12-10-18/h1-8H,9-13H2/b7-4+,15-8+
InChIKey
YYZWIJATALWONG-DUEVJXGLSA-N
Compound name
(5E)-3-(morpholin-4-ylmethyl)-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

346.08096 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.08824 180.3
[M+Na]+ 369.07018 187.0
[M-H]- 345.07368 186.8
[M+NH4]+ 364.11478 192.1
[M+K]+ 385.04412 180.7
[M+H-H2O]+ 329.07822 172.8
[M+HCOO]- 391.07916 186.9
[M+CH3COO]- 405.09481 189.1
[M+Na-2H]- 367.05563 175.6
[M]+ 346.08041 177.8
[M]- 346.08151 177.8
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.