CID 3687063

Allyl 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
C23H28N2O5S
SMILES
CCCCOC1=C(C=C(C=C1)C2C(=C(N=C3N2C(=O)CCS3)C)C(=O)OCC=C)OC
InChI
InChI=1S/C23H28N2O5S/c1-5-7-12-29-17-9-8-16(14-18(17)28-4)21-20(22(27)30-11-6-2)15(3)24-23-25(21)19(26)10-13-31-23/h6,8-9,14,21H,2,5,7,10-13H2,1,3-4H3
InChIKey
QQMYHJHWWKQYJL-UHFFFAOYSA-N
Compound name
prop-2-enyl 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

444.1719 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.17918 207.1
[M+Na]+ 467.16112 218.8
[M+NH4]+ 462.20572 212.1
[M+K]+ 483.13506 210.0
[M-H]- 443.16462 208.8
[M+Na-2H]- 465.14657 209.8
[M]+ 444.17135 209.6
[M]- 444.17245 209.6
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.