CID 5767910

2-(4-ethyl-1-piperazinyl)-3-{(z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C21H25N5O3S2
SMILES
CCN1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C\4/C(=O)N(C(=S)S4)CCOC
InChI
InChI=1S/C21H25N5O3S2/c1-3-23-8-10-24(11-9-23)18-15(19(27)25-7-5-4-6-17(25)22-18)14-16-20(28)26(12-13-29-2)21(30)31-16/h4-7,14H,3,8-13H2,1-2H3/b16-14-
InChIKey
JWZDNXAVTATGMS-PEZBUJJGSA-N
Compound name
(5Z)-5-[[2-(4-ethylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.1399 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.147176 208.5
[M+Na]+ 482.129118 217.2
[M-H]- 458.132624 211.8
[M+NH4]+ 477.173723 214.4
[M+K]+ 498.103058 208.5
[M+H-H2O]+ 442.137160 199.7
[M+HCOO]- 504.138101 210.4
[M+CH3COO]- 518.153751 214.6
[M+Na-2H]- 480.114566 202.2
[M]+ 459.13935142 210.1
[M]- 459.14044858 210.1
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.