CID 1600375

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

Structural Information

Molecular Formula
C20H23N5O2S2
SMILES
CCCN1C(=O)/C(=C\C2=C(N=C3C=CC=CN3C2=O)N4CCN(CC4)C)/SC1=S
InChI
InChI=1S/C20H23N5O2S2/c1-3-7-25-19(27)15(29-20(25)28)13-14-17(23-11-9-22(2)10-12-23)21-16-6-4-5-8-24(16)18(14)26/h4-6,8,13H,3,7,9-12H2,1-2H3/b15-13+
InChIKey
ALUUFKYDFTZRNA-FYWRMAATSA-N
Compound name
(5E)-5-[[2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.1293 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.13658 201.7
[M+Na]+ 452.11852 214.1
[M+NH4]+ 447.16312 207.3
[M+K]+ 468.09246 204.8
[M-H]- 428.12202 204.3
[M+Na-2H]- 450.10397 204.5
[M]+ 429.12875 204.9
[M]- 429.12985 204.9
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.