CID 1590117

3-[(z)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(propylamino)-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C18H20N4O2S2
SMILES
CCCNC1=C(C(=O)N2C=CC=C(C2=N1)C)/C=C\3/C(=O)N(C(=S)S3)CC
InChI
InChI=1S/C18H20N4O2S2/c1-4-8-19-14-12(10-13-17(24)21(5-2)18(25)26-13)16(23)22-9-6-7-11(3)15(22)20-14/h6-7,9-10,19H,4-5,8H2,1-3H3/b13-10-
InChIKey
WOTVTWKKGNAMHB-RAXLEYEMSA-N
Compound name
(5Z)-3-ethyl-5-[[9-methyl-4-oxo-2-(propylamino)pyrido[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

388.10278 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.110056 189.8
[M+Na]+ 411.091998 200.6
[M-H]- 387.095504 193.7
[M+NH4]+ 406.136603 201.8
[M+K]+ 427.065938 191.9
[M+H-H2O]+ 371.100040 182.7
[M+HCOO]- 433.100981 198.3
[M+CH3COO]- 447.116631 221.7
[M+Na-2H]- 409.077446 186.2
[M]+ 388.10223142 194.0
[M]- 388.10332858 194.0
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.