CID 5883902

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

Structural Information

Molecular Formula
C26H25N5O3S2
SMILES
COC1=CC=CC=C1N2CCN(CC2)C3=C(C(=O)N4C=CC=CC4=N3)/C=C\5/C(=O)N(C(=S)S5)CC=C
InChI
InChI=1S/C26H25N5O3S2/c1-3-11-31-25(33)21(36-26(31)35)17-18-23(27-22-10-6-7-12-30(22)24(18)32)29-15-13-28(14-16-29)19-8-4-5-9-20(19)34-2/h3-10,12,17H,1,11,13-16H2,2H3/b21-17-
InChIKey
OBJJDLRPAIESPY-FXBPSFAMSA-N
Compound name
(5Z)-5-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.1399 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.14718 224.8
[M+Na]+ 542.12912 233.5
[M-H]- 518.13262 231.0
[M+NH4]+ 537.17372 227.7
[M+K]+ 558.10306 222.9
[M+H-H2O]+ 502.13716 214.7
[M+HCOO]- 564.13810 226.6
[M+CH3COO]- 578.15375 229.9
[M+Na-2H]- 540.11457 217.9
[M]+ 519.13935 225.0
[M]- 519.14045 225.0
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.