CID 1536080

361994-16-3

Structural Information

Molecular Formula
C22H26N4O2S2
SMILES
CC1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C\4/C(=O)N(C(=S)S4)CC(C)C
InChI
InChI=1S/C22H26N4O2S2/c1-14(2)13-26-21(28)17(30-22(26)29)12-16-19(24-10-7-15(3)8-11-24)23-18-6-4-5-9-25(18)20(16)27/h4-6,9,12,14-15H,7-8,10-11,13H2,1-3H3/b17-12-
InChIKey
QJEKGKNKZHOAOL-ATVHPVEESA-N
Compound name
(5Z)-5-[[2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methylpropyl)-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 204.2
[M+Na]+ 465.13894 216.1
[M+NH4]+ 460.18354 210.2
[M+K]+ 481.11288 207.0
[M-H]- 441.14244 207.4
[M+Na-2H]- 463.12439 207.0
[M]+ 442.14917 207.6
[M]- 442.15027 207.6
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.