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 229.4
[M+Na]+ 558.16042 238.1
[M-H]- 534.16392 235.7
[M+NH4]+ 553.20502 232.0
[M+K]+ 574.13436 227.9
[M+H-H2O]+ 518.16846 219.2
[M+HCOO]- 580.16940 230.6
[M+CH3COO]- 594.18505 234.3
[M+Na-2H]- 556.14587 221.5
[M]+ 535.17065 230.9
[M]- 535.17175 230.9
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.