CID 1606349

3-[(z)-(3-benzyl-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
C22H20N4O3S2
SMILES
COCCNC1=C(C(=O)N2C=CC=CC2=N1)/C=C\3/C(=O)N(C(=S)S3)CC4=CC=CC=C4
InChI
InChI=1S/C22H20N4O3S2/c1-29-12-10-23-19-16(20(27)25-11-6-5-9-18(25)24-19)13-17-21(28)26(22(30)31-17)14-15-7-3-2-4-8-15/h2-9,11,13,23H,10,12,14H2,1H3/b17-13-
InChIKey
ZFCOQXPILWGZOH-LGMDPLHJSA-N
Compound name
(5Z)-3-benzyl-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

452.0977 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.10498 204.9
[M+Na]+ 475.08692 214.3
[M-H]- 451.09042 211.4
[M+NH4]+ 470.13152 213.3
[M+K]+ 491.06086 205.1
[M+H-H2O]+ 435.09496 196.2
[M+HCOO]- 497.09590 214.0
[M+CH3COO]- 511.11155 212.8
[M+Na-2H]- 473.07237 203.0
[M]+ 452.09715 208.8
[M]- 452.09825 208.8
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.