CID 1905279

373613-05-9

Structural Information

Molecular Formula
C20H22N4O2S2
SMILES
CCN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)N4CCC(CC4)C)/SC1=S
InChI
InChI=1S/C20H22N4O2S2/c1-3-23-19(26)15(28-20(23)27)12-14-17(22-10-7-13(2)8-11-22)21-16-6-4-5-9-24(16)18(14)25/h4-6,9,12-13H,3,7-8,10-11H2,1-2H3/b15-12-
InChIKey
CECYUMHLQDFFEV-QINSGFPZSA-N
Compound name
(5Z)-3-ethyl-5-[[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

414.1184 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.12568 197.5
[M+Na]+ 437.10762 210.2
[M+NH4]+ 432.15222 203.9
[M+K]+ 453.08156 200.5
[M-H]- 413.11112 200.9
[M+Na-2H]- 435.09307 200.8
[M]+ 414.11785 201.0
[M]- 414.11895 201.0
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.