CID 5941245

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

Structural Information

Molecular Formula
C27H29N5O3S2
SMILES
CCN1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C\4/C(=O)N(C(=S)S4)CC5=CC=C(C=C5)OC
InChI
InChI=1S/C27H29N5O3S2/c1-4-29-12-14-30(15-13-29)24-21(25(33)31-11-5-6-18(2)23(31)28-24)16-22-26(34)32(27(36)37-22)17-19-7-9-20(35-3)10-8-19/h5-11,16H,4,12-15,17H2,1-3H3/b22-16-
InChIKey
XFZYNHWQUNCUMH-JWGURIENSA-N
Compound name
(5Z)-5-[[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.1712 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.17848 227.3
[M+Na]+ 558.16042 241.4
[M+NH4]+ 553.20502 232.3
[M+K]+ 574.13436 231.2
[M-H]- 534.16392 232.3
[M+Na-2H]- 556.14587 231.9
[M]+ 535.17065 231.6
[M]- 535.17175 231.6
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.