CID 5938001

373615-09-9

Structural Information

Molecular Formula
C26H26N4O3S2
SMILES
CC1CN(CC(O1)C)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C\4/C(=O)N(C(=S)S4)CC5=CC=CC=C5
InChI
InChI=1S/C26H26N4O3S2/c1-16-8-7-11-29-22(16)27-23(28-13-17(2)33-18(3)14-28)20(24(29)31)12-21-25(32)30(26(34)35-21)15-19-9-5-4-6-10-19/h4-12,17-18H,13-15H2,1-3H3/b21-12-
InChIKey
FGEHNEFXVJIBEO-MTJSOVHGSA-N
Compound name
(5Z)-3-benzyl-5-[[2-(2,6-dimethylmorpholin-4-yl)-9-methyl-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

506.14462 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.15190 220.0
[M+Na]+ 529.13384 234.9
[M+NH4]+ 524.17844 225.9
[M+K]+ 545.10778 224.9
[M-H]- 505.13734 227.0
[M+Na-2H]- 527.11929 224.6
[M]+ 506.14407 225.1
[M]- 506.14517 225.1
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.