CID 5766169

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

Structural Information

Molecular Formula
C21H18N4O3S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CC4=CC=CO4)NCC=C
InChI
InChI=1S/C21H18N4O3S2/c1-3-8-22-17-15(19(26)24-9-4-6-13(2)18(24)23-17)11-16-20(27)25(21(29)30-16)12-14-7-5-10-28-14/h3-7,9-11,22H,1,8,12H2,2H3/b16-11-
InChIKey
MWAWCNKKCXSIHL-WJDWOHSUSA-N
Compound name
(5Z)-3-(furan-2-ylmethyl)-5-[[9-methyl-4-oxo-2-(prop-2-enylamino)pyrido[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

438.08203 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.08931 204.3
[M+Na]+ 461.07125 217.3
[M+NH4]+ 456.11585 209.9
[M+K]+ 477.04519 209.7
[M-H]- 437.07475 209.3
[M+Na-2H]- 459.05670 208.0
[M]+ 438.08148 208.4
[M]- 438.08258 208.4
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.