CID 1414699

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

Structural Information

Molecular Formula
C21H18N4O2S2
SMILES
CCNC1=C(C(=O)N2C=CC=CC2=N1)/C=C\3/C(=O)N(C(=S)S3)CC4=CC=CC=C4
InChI
InChI=1S/C21H18N4O2S2/c1-2-22-18-15(19(26)24-11-7-6-10-17(24)23-18)12-16-20(27)25(21(28)29-16)13-14-8-4-3-5-9-14/h3-12,22H,2,13H2,1H3/b16-12-
InChIKey
AFPVIZYHBLNPKV-VBKFSLOCSA-N
Compound name
(5Z)-3-benzyl-5-[[2-(ethylamino)-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

422.08713 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.09441 198.1
[M+Na]+ 445.07635 208.6
[M-H]- 421.07985 204.9
[M+NH4]+ 440.12095 208.0
[M+K]+ 461.05029 198.8
[M+H-H2O]+ 405.08439 189.8
[M+HCOO]- 467.08533 207.5
[M+CH3COO]- 481.10098 206.8
[M+Na-2H]- 443.06180 196.3
[M]+ 422.08658 200.6
[M]- 422.08768 200.6
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.