CID 5941076

3-[(z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-{[2-(2-hydroxyethoxy)ethyl]amino}-9-methyl-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C24H24N4O4S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CC4=CC=CC=C4)NCCOCCO
InChI
InChI=1S/C24H24N4O4S2/c1-16-6-5-10-27-21(16)26-20(25-9-12-32-13-11-29)18(22(27)30)14-19-23(31)28(24(33)34-19)15-17-7-3-2-4-8-17/h2-8,10,14,25,29H,9,11-13,15H2,1H3/b19-14-
InChIKey
BBZJDALSRIMYDD-RGEXLXHISA-N
Compound name
(5Z)-3-benzyl-5-[[2-[2-(2-hydroxyethoxy)ethylamino]-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

496.1239 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.13118 216.1
[M+Na]+ 519.11312 228.0
[M+NH4]+ 514.15772 220.8
[M+K]+ 535.08706 218.5
[M-H]- 495.11662 219.6
[M+Na-2H]- 517.09857 220.2
[M]+ 496.12335 219.5
[M]- 496.12445 219.5
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.