CID 1324888

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

Structural Information

Molecular Formula
C24H24N4O3S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C/3\C(=O)N(C(=S)S3)C4CCCCC4)NCC5=CC=CO5
InChI
InChI=1S/C24H24N4O3S2/c1-15-7-5-11-27-21(15)26-20(25-14-17-10-6-12-31-17)18(22(27)29)13-19-23(30)28(24(32)33-19)16-8-3-2-4-9-16/h5-7,10-13,16,25H,2-4,8-9,14H2,1H3/b19-13+
InChIKey
OBLUKYXGOJYHII-CPNJWEJPSA-N
Compound name
(5E)-3-cyclohexyl-5-[[2-(furan-2-ylmethylamino)-9-methyl-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

480.129 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.13628 210.0
[M+Na]+ 503.11822 222.6
[M+NH4]+ 498.16282 216.3
[M+K]+ 519.09216 215.0
[M-H]- 479.12172 217.3
[M+Na-2H]- 501.10367 215.0
[M]+ 480.12845 214.6
[M]- 480.12955 214.6
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.