CID 1901327

361994-21-0

Structural Information

Molecular Formula
C22H26N4O2S2
SMILES
CCCCN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)N4CCC(CC4)C)/SC1=S
InChI
InChI=1S/C22H26N4O2S2/c1-3-4-10-26-21(28)17(30-22(26)29)14-16-19(24-12-8-15(2)9-13-24)23-18-7-5-6-11-25(18)20(16)27/h5-7,11,14-15H,3-4,8-10,12-13H2,1-2H3/b17-14-
InChIKey
JIPPWXRDFWRTSZ-VKAVYKQESA-N
Compound name
(5Z)-3-butyl-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

442.14972 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.15700 205.4
[M+Na]+ 465.13894 217.6
[M+NH4]+ 460.18354 211.5
[M+K]+ 481.11288 207.6
[M-H]- 441.14244 208.7
[M+Na-2H]- 463.12439 208.3
[M]+ 442.14917 208.8
[M]- 442.15027 208.8
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.