CID 5767919

3-[(z)-(3-sec-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-hydroxyethyl)amino]-9-methyl-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C19H22N4O3S2
SMILES
CCC(C)N1C(=O)/C(=C/C2=C(N=C3C(=CC=CN3C2=O)C)NCCO)/SC1=S
InChI
InChI=1S/C19H22N4O3S2/c1-4-12(3)23-18(26)14(28-19(23)27)10-13-15(20-7-9-24)21-16-11(2)6-5-8-22(16)17(13)25/h5-6,8,10,12,20,24H,4,7,9H2,1-3H3/b14-10-
InChIKey
UHPUYVFNDQARHV-UVTDQMKNSA-N
Compound name
(5Z)-3-butan-2-yl-5-[[2-(2-hydroxyethylamino)-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

418.11334 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.12062 199.4
[M+Na]+ 441.10256 209.4
[M+NH4]+ 436.14716 204.2
[M+K]+ 457.07650 201.7
[M-H]- 417.10606 200.4
[M+Na-2H]- 439.08801 200.4
[M]+ 418.11279 201.7
[M]- 418.11389 201.7
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.