CID 1315657

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

Structural Information

Molecular Formula
C19H20N4O2S2
SMILES
CNC1=C(C(=O)N2C=CC=CC2=N1)/C=C\3/C(=O)N(C(=S)S3)C4CCCCC4
InChI
InChI=1S/C19H20N4O2S2/c1-20-16-13(17(24)22-10-6-5-9-15(22)21-16)11-14-18(25)23(19(26)27-14)12-7-3-2-4-8-12/h5-6,9-12,20H,2-4,7-8H2,1H3/b14-11-
InChIKey
CFOHBZXOQXQXHY-KAMYIIQDSA-N
Compound name
(5Z)-3-cyclohexyl-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

0
References

0
Patents

400.10278 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.11006 190.1
[M+Na]+ 423.09200 201.5
[M+NH4]+ 418.13660 197.0
[M+K]+ 439.06594 192.3
[M-H]- 399.09550 194.4
[M+Na-2H]- 421.07745 194.5
[M]+ 400.10223 193.6
[M]- 400.10333 193.6
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.

Patent stripe

No patent data available for this compound.