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]+ 460.14718 208.5
[M+Na]+ 482.12912 217.2
[M-H]- 458.13262 211.8
[M+NH4]+ 477.17372 214.4
[M+K]+ 498.10306 208.5
[M+H-H2O]+ 442.13716 199.7
[M+HCOO]- 504.13810 210.4
[M+CH3COO]- 518.15375 214.6
[M+Na-2H]- 480.11457 202.2
[M]+ 459.13935 210.1
[M]- 459.14045 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.