CID 3238862

2-methoxyethyl 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
C19H21BrN2O5S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=C(C=CC(=C3)Br)OC)C(=O)OCCOC
InChI
InChI=1S/C19H21BrN2O5S/c1-11-16(18(24)27-8-7-25-2)17(13-10-12(20)4-5-14(13)26-3)22-15(23)6-9-28-19(22)21-11/h4-5,10,17H,6-9H2,1-3H3
InChIKey
CDBOZGDIIKXTDS-UHFFFAOYSA-N
Compound name
2-methoxyethyl 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

0
References

0
Patents

468.03546 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.04274 189.0
[M+Na]+ 491.02468 198.9
[M-H]- 467.02818 195.9
[M+NH4]+ 486.06928 200.5
[M+K]+ 506.99862 187.7
[M+H-H2O]+ 451.03272 186.7
[M+HCOO]- 513.03366 198.0
[M+CH3COO]- 527.04931 228.0
[M+Na-2H]- 489.01013 189.9
[M]+ 468.03491 213.2
[M]- 468.03601 213.2
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.