CID 3238157

Methyl 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
C17H17BrN2O4S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=C(C=CC(=C3)Br)OC)C(=O)OC
InChI
InChI=1S/C17H17BrN2O4S/c1-9-14(16(22)24-3)15(11-8-10(18)4-5-12(11)23-2)20-13(21)6-7-25-17(20)19-9/h4-5,8,15H,6-7H2,1-3H3
InChIKey
UJMMAXKIQSYHBV-UHFFFAOYSA-N
Compound name
methyl 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

6
References

0
Patents

424.00925 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.01653 178.2
[M+Na]+ 446.99847 189.4
[M-H]- 423.00197 185.6
[M+NH4]+ 442.04307 191.6
[M+K]+ 462.97241 177.9
[M+H-H2O]+ 407.00651 176.6
[M+HCOO]- 469.00745 187.8
[M+CH3COO]- 483.02310 220.6
[M+Na-2H]- 444.98392 179.8
[M]+ 424.00870 200.6
[M]- 424.00980 200.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.