CID 5922637

2-(2,6-dimethyl-4-morpholinyl)-3-{(z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C22H26N4O4S2
SMILES
CC1CN(CC(O1)C)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C\4/C(=O)N(C(=S)S4)CCOC
InChI
InChI=1S/C22H26N4O4S2/c1-13-6-5-7-25-18(13)23-19(24-11-14(2)30-15(3)12-24)16(20(25)27)10-17-21(28)26(8-9-29-4)22(31)32-17/h5-7,10,14-15H,8-9,11-12H2,1-4H3/b17-10-
InChIKey
QEGNLOFZSZBXLJ-YVLHZVERSA-N
Compound name
(5Z)-5-[[2-(2,6-dimethylmorpholin-4-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.13956 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.14684 213.0
[M+Na]+ 497.12878 222.6
[M-H]- 473.13228 218.8
[M+NH4]+ 492.17338 218.8
[M+K]+ 513.10272 215.5
[M+H-H2O]+ 457.13682 205.1
[M+HCOO]- 519.13776 215.2
[M+CH3COO]- 533.15341 219.9
[M+Na-2H]- 495.11423 205.7
[M]+ 474.13901 217.1
[M]- 474.14011 217.1
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.