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]+ 389.11006 193.2
[M+Na]+ 411.09200 204.9
[M+NH4]+ 406.13660 199.2
[M+K]+ 427.06594 195.6
[M-H]- 387.09550 195.5
[M+Na-2H]- 409.07745 195.5
[M]+ 388.10223 196.2
[M]- 388.10333 196.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.