CID 5766156

Salor-int l246123-1ea

Structural Information

Molecular Formula
C22H26N4O3S2
SMILES
CC1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C\4/C(=O)N(C(=S)S4)CCCOC
InChI
InChI=1S/C22H26N4O3S2/c1-15-7-11-24(12-8-15)19-16(20(27)25-9-4-3-6-18(25)23-19)14-17-21(28)26(22(30)31-17)10-5-13-29-2/h3-4,6,9,14-15H,5,7-8,10-13H2,1-2H3/b17-14-
InChIKey
SGBAOKJMDQTFAR-VKAVYKQESA-N
Compound name
(5Z)-3-(3-methoxypropyl)-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

458.14462 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.15190 208.5
[M+Na]+ 481.13384 220.2
[M+NH4]+ 476.17844 214.0
[M+K]+ 497.10778 210.7
[M-H]- 457.13734 211.4
[M+Na-2H]- 479.11929 211.0
[M]+ 458.14407 211.7
[M]- 458.14517 211.7
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.