CID 16428450

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

Structural Information

Molecular Formula
C25H26N4O3S2
SMILES
CCOCCCNC1=C(C(=O)N2C=CC=C(C2=N1)C)/C=C/3\C(=O)N(C(=S)S3)CC4=CC=CC=C4
InChI
InChI=1S/C25H26N4O3S2/c1-3-32-14-8-12-26-21-19(23(30)28-13-7-9-17(2)22(28)27-21)15-20-24(31)29(25(33)34-20)16-18-10-5-4-6-11-18/h4-7,9-11,13,15,26H,3,8,12,14,16H2,1-2H3/b20-15+
InChIKey
LRGPCVUAUBGACB-HMMYKYKNSA-N
Compound name
(5E)-3-benzyl-5-[[2-(3-ethoxypropylamino)-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

494.14462 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.15190 217.2
[M+Na]+ 517.13384 225.8
[M-H]- 493.13734 223.3
[M+NH4]+ 512.17844 224.0
[M+K]+ 533.10778 216.1
[M+H-H2O]+ 477.14188 208.1
[M+HCOO]- 539.14282 225.2
[M+CH3COO]- 553.15847 224.0
[M+Na-2H]- 515.11929 213.4
[M]+ 494.14407 222.4
[M]- 494.14517 222.4
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.