CID 3778990

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

Structural Information

Molecular Formula
C19H19BrN2O4S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=C(C=CC(=C3)Br)OC)C(=O)OCC=C
InChI
InChI=1S/C19H19BrN2O4S/c1-4-8-26-18(24)16-11(2)21-19-22(15(23)7-9-27-19)17(16)13-10-12(20)5-6-14(13)25-3/h4-6,10,17H,1,7-9H2,2-3H3
InChIKey
KLIXRZXFZJRVIH-UHFFFAOYSA-N
Compound name
prop-2-enyl 6-(5-bromo-2-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

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References

0
Patents

450.0249 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.03218 182.5
[M+Na]+ 473.01412 185.9
[M+NH4]+ 468.05872 185.3
[M+K]+ 488.98806 184.3
[M-H]- 449.01762 183.2
[M+Na-2H]- 470.99957 184.0
[M]+ 450.02435 182.3
[M]- 450.02545 182.3
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.