CID 1601641

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

Structural Information

Molecular Formula
C21H24N4O3S2
SMILES
COCCNC1=C(C(=O)N2C=CC=CC2=N1)/C=C\3/C(=O)N(C(=S)S3)C4CCCCC4
InChI
InChI=1S/C21H24N4O3S2/c1-28-12-10-22-18-15(19(26)24-11-6-5-9-17(24)23-18)13-16-20(27)25(21(29)30-16)14-7-3-2-4-8-14/h5-6,9,11,13-14,22H,2-4,7-8,10,12H2,1H3/b16-13-
InChIKey
BAKPIHPPIUPQQE-SSZFMOIBSA-N
Compound name
(5Z)-3-cyclohexyl-5-[[2-(2-methoxyethylamino)-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

444.129 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.13628 201.1
[M+Na]+ 467.11822 211.6
[M+NH4]+ 462.16282 207.1
[M+K]+ 483.09216 202.5
[M-H]- 443.12172 204.9
[M+Na-2H]- 465.10367 204.8
[M]+ 444.12845 204.3
[M]- 444.12955 204.3
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.