CID 5729848

374549-99-2

Structural Information

Molecular Formula
C25H24N4O2S2
SMILES
CC1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C\4/C(=O)N(C(=S)S4)CC5=CC=CC=C5
InChI
InChI=1S/C25H24N4O2S2/c1-17-10-13-27(14-11-17)22-19(23(30)28-12-6-5-9-21(28)26-22)15-20-24(31)29(25(32)33-20)16-18-7-3-2-4-8-18/h2-9,12,15,17H,10-11,13-14,16H2,1H3/b20-15-
InChIKey
MLOBZDQVNFGMEL-HKWRFOASSA-N
Compound name
(5Z)-3-benzyl-5-[[2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.13406 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.14134 209.6
[M+Na]+ 499.12328 224.3
[M+NH4]+ 494.16788 216.4
[M+K]+ 515.09722 213.3
[M-H]- 475.12678 215.7
[M+Na-2H]- 497.10873 216.1
[M]+ 476.13351 214.3
[M]- 476.13461 214.3
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.