CID 3256954

Allyl 6-(3-ethoxy-4-propoxyphenyl)-8-methyl-4-oxo-3,4-dihydro-2h,6h-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

Structural Information

Molecular Formula
C23H28N2O5S
SMILES
CCCOC1=C(C=C(C=C1)C2C(=C(N=C3N2C(=O)CCS3)C)C(=O)OCC=C)OCC
InChI
InChI=1S/C23H28N2O5S/c1-5-11-29-17-9-8-16(14-18(17)28-7-3)21-20(22(27)30-12-6-2)15(4)24-23-25(21)19(26)10-13-31-23/h6,8-9,14,21H,2,5,7,10-13H2,1,3-4H3
InChIKey
MGWLNUXTHJLKQC-UHFFFAOYSA-N
Compound name
prop-2-enyl 6-(3-ethoxy-4-propoxyphenyl)-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 206.0
[M+Na]+ 467.16112 211.8
[M-H]- 443.16462 209.7
[M+NH4]+ 462.20572 214.0
[M+K]+ 483.13506 206.8
[M+H-H2O]+ 427.16916 196.1
[M+HCOO]- 489.17010 215.4
[M+CH3COO]- 503.18575 231.9
[M+Na-2H]- 465.14657 202.8
[M]+ 444.17135 212.5
[M]- 444.17245 212.5
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.