CID 3343004

Ethyl 6-(4-butoxy-3-methoxyphenyl)-8-methyl-4-oxo-3,4-dihydro-2h,6h-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

Structural Information

Molecular Formula
C22H28N2O5S
SMILES
CCCCOC1=C(C=C(C=C1)C2C(=C(N=C3N2C(=O)CCS3)C)C(=O)OCC)OC
InChI
InChI=1S/C22H28N2O5S/c1-5-7-11-29-16-9-8-15(13-17(16)27-4)20-19(21(26)28-6-2)14(3)23-22-24(20)18(25)10-12-30-22/h8-9,13,20H,5-7,10-12H2,1-4H3
InChIKey
WBDPLQHBFVILOO-UHFFFAOYSA-N
Compound name
ethyl 6-(4-butoxy-3-methoxyphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.1719 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.17918 203.7
[M+Na]+ 455.16112 215.6
[M+NH4]+ 450.20572 209.1
[M+K]+ 471.13506 207.1
[M-H]- 431.16462 205.7
[M+Na-2H]- 453.14657 206.7
[M]+ 432.17135 206.3
[M]- 432.17245 206.3
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.