CID 3568375

Isobutyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2h,6h-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

Structural Information

Molecular Formula
C22H28N2O6S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OCC(C)C
InChI
InChI=1S/C22H28N2O6S/c1-12(2)11-30-21(26)18-13(3)23-22-24(17(25)7-8-31-22)19(18)14-9-15(27-4)20(29-6)16(10-14)28-5/h9-10,12,19H,7-8,11H2,1-6H3
InChIKey
GHQBJWWIMAZMHI-UHFFFAOYSA-N
Compound name
2-methylpropyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

448.1668 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.17408 206.0
[M+Na]+ 471.15602 217.3
[M+NH4]+ 466.20062 210.7
[M+K]+ 487.12996 210.5
[M-H]- 447.15952 207.4
[M+Na-2H]- 469.14147 208.1
[M]+ 448.16625 208.3
[M]- 448.16735 208.3
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.