CID 1568728

381710-63-0

Structural Information

Molecular Formula
C21H24N4O2S2
SMILES
CCN1C(=O)/C(=C/C2=C(N=C3C=CC(=CN3C2=O)C)N4CCC(CC4)C)/SC1=S
InChI
InChI=1S/C21H24N4O2S2/c1-4-24-20(27)16(29-21(24)28)11-15-18(23-9-7-13(2)8-10-23)22-17-6-5-14(3)12-25(17)19(15)26/h5-6,11-13H,4,7-10H2,1-3H3/b16-11-
InChIKey
ITLBZBPALLCXQT-WJDWOHSUSA-N
Compound name
(5Z)-3-ethyl-5-[[7-methyl-2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.13406 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.14134 202.8
[M+Na]+ 451.12328 215.6
[M+NH4]+ 446.16788 209.1
[M+K]+ 467.09722 205.9
[M-H]- 427.12678 206.3
[M+Na-2H]- 449.10873 205.6
[M]+ 428.13351 206.4
[M]- 428.13461 206.4
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.