CID 3239577

Ethyl 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
C18H19BrN2O4S
SMILES
CCOC(=O)C1=C(N=C2N(C1C3=C(C=CC(=C3)Br)OC)C(=O)CCS2)C
InChI
InChI=1S/C18H19BrN2O4S/c1-4-25-17(23)15-10(2)20-18-21(14(22)7-8-26-18)16(15)12-9-11(19)5-6-13(12)24-3/h5-6,9,16H,4,7-8H2,1-3H3
InChIKey
TUQWALMYSSJGNY-UHFFFAOYSA-N
Compound name
ethyl 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

5
References

0
Patents

438.0249 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.03218 182.5
[M+Na]+ 461.01412 193.3
[M-H]- 437.01762 189.7
[M+NH4]+ 456.05872 195.4
[M+K]+ 476.98806 181.5
[M+H-H2O]+ 421.02216 180.7
[M+HCOO]- 483.02310 191.7
[M+CH3COO]- 497.03875 223.3
[M+Na-2H]- 458.99957 183.6
[M]+ 438.02435 205.2
[M]- 438.02545 205.2
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.