CID 1919340

3-[(e)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-furylmethyl)amino]-7-methyl-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C20H18N4O3S2
SMILES
CCN1C(=O)/C(=C\C2=C(N=C3C=CC(=CN3C2=O)C)NCC4=CC=CO4)/SC1=S
InChI
InChI=1S/C20H18N4O3S2/c1-3-23-19(26)15(29-20(23)28)9-14-17(21-10-13-5-4-8-27-13)22-16-7-6-12(2)11-24(16)18(14)25/h4-9,11,21H,3,10H2,1-2H3/b15-9+
InChIKey
GQQOGNMSBNOBKK-OQLLNIDSSA-N
Compound name
(5E)-3-ethyl-5-[[2-(furan-2-ylmethylamino)-7-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

426.08203 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.08931 200.5
[M+Na]+ 449.07125 213.7
[M+NH4]+ 444.11585 206.5
[M+K]+ 465.04519 206.4
[M-H]- 425.07475 205.8
[M+Na-2H]- 447.05670 204.5
[M]+ 426.08148 204.7
[M]- 426.08258 204.7
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.