CID 3827785

Isopropyl 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
C23H30N2O5S
SMILES
CCCOC1=C(C=C(C=C1)C2C(=C(N=C3N2C(=O)CCS3)C)C(=O)OC(C)C)OCC
InChI
InChI=1S/C23H30N2O5S/c1-6-11-29-17-9-8-16(13-18(17)28-7-2)21-20(22(27)30-14(3)4)15(5)24-23-25(21)19(26)10-12-31-23/h8-9,13-14,21H,6-7,10-12H2,1-5H3
InChIKey
LEYSFZUZPUBSJF-UHFFFAOYSA-N
Compound name
propan-2-yl 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

446.18753 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.19481 206.9
[M+Na]+ 469.17675 218.1
[M+NH4]+ 464.22135 212.0
[M+K]+ 485.15069 210.3
[M-H]- 445.18025 208.7
[M+Na-2H]- 467.16220 209.4
[M]+ 446.18698 209.3
[M]- 446.18808 209.3
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.