CID 1350423

3-[(e)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-methyl-1-piperazinyl)-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C18H19N5O2S2
SMILES
CN1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C/4\C(=O)N(C(=S)S4)C
InChI
InChI=1S/C18H19N5O2S2/c1-20-7-9-22(10-8-20)15-12(11-13-17(25)21(2)18(26)27-13)16(24)23-6-4-3-5-14(23)19-15/h3-6,11H,7-10H2,1-2H3/b13-11+
InChIKey
CDYXBIHFBKEFID-ACCUITESSA-N
Compound name
(5E)-3-methyl-5-[[2-(4-methylpiperazin-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

401.09802 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.10530 193.8
[M+Na]+ 424.08724 206.8
[M+NH4]+ 419.13184 199.8
[M+K]+ 440.06118 197.8
[M-H]- 400.09074 196.6
[M+Na-2H]- 422.07269 197.1
[M]+ 401.09747 197.2
[M]- 401.09857 197.2
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.