CID 1908820

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

Structural Information

Molecular Formula
C22H24N4O2S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)C4CCCCC4)NCC=C
InChI
InChI=1S/C22H24N4O2S2/c1-3-11-23-18-16(20(27)25-12-7-8-14(2)19(25)24-18)13-17-21(28)26(22(29)30-17)15-9-5-4-6-10-15/h3,7-8,12-13,15,23H,1,4-6,9-11H2,2H3/b17-13-
InChIKey
WPAQUCJBQVSGJP-LGMDPLHJSA-N
Compound name
(5Z)-3-cyclohexyl-5-[[9-methyl-4-oxo-2-(prop-2-enylamino)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

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References

0
Patents

440.13406 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.14134 203.0
[M+Na]+ 463.12328 214.1
[M+NH4]+ 458.16788 209.1
[M+K]+ 479.09722 204.3
[M-H]- 439.12678 207.0
[M+Na-2H]- 461.10873 206.3
[M]+ 440.13351 206.3
[M]- 440.13461 206.3
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.