CID 1387799

3-[(e)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-9-methyl-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C21H25N5O2S2
SMILES
CCN1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C/4\C(=O)N(C(=S)S4)CC
InChI
InChI=1S/C21H25N5O2S2/c1-4-23-9-11-24(12-10-23)18-15(13-16-20(28)25(5-2)21(29)30-16)19(27)26-8-6-7-14(3)17(26)22-18/h6-8,13H,4-5,9-12H2,1-3H3/b16-13+
InChIKey
YFPKYYLWFFKOFW-DTQAZKPQSA-N
Compound name
(5E)-3-ethyl-5-[[2-(4-ethylpiperazin-1-yl)-9-methyl-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

443.14496 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.15224 207.1
[M+Na]+ 466.13418 219.7
[M+NH4]+ 461.17878 212.5
[M+K]+ 482.10812 210.3
[M-H]- 442.13768 209.8
[M+Na-2H]- 464.11963 209.4
[M]+ 443.14441 210.4
[M]- 443.14551 210.4
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.