CID 1536138

2-(methylamino)-3-[(z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C14H12N4O2S2
SMILES
CNC1=C(C(=O)N2C=CC=CC2=N1)/C=C\3/C(=O)N(C(=S)S3)C
InChI
InChI=1S/C14H12N4O2S2/c1-15-11-8(7-9-13(20)17(2)14(21)22-9)12(19)18-6-4-3-5-10(18)16-11/h3-7,15H,1-2H3/b9-7-
InChIKey
SEHNPTWPFUDTGO-CLFYSBASSA-N
Compound name
(5Z)-3-methyl-5-[[2-(methylamino)-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

2
References

0
Patents

332.04016 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.04744 173.5
[M+Na]+ 355.02938 185.5
[M-H]- 331.03288 177.9
[M+NH4]+ 350.07398 187.6
[M+K]+ 371.00332 177.6
[M+H-H2O]+ 315.03742 166.9
[M+HCOO]- 377.03836 183.4
[M+CH3COO]- 391.05401 184.2
[M+Na-2H]- 353.01483 172.2
[M]+ 332.03961 176.1
[M]- 332.04071 176.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.