CID 3153547

2-methoxyethyl 6-[4-(acetyloxy)phenyl]-8-methyl-4-oxo-3,4-dihydro-2h,6h-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

Structural Information

Molecular Formula
C20H22N2O6S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=C(C=C3)OC(=O)C)C(=O)OCCOC
InChI
InChI=1S/C20H22N2O6S/c1-12-17(19(25)27-10-9-26-3)18(22-16(24)8-11-29-20(22)21-12)14-4-6-15(7-5-14)28-13(2)23/h4-7,18H,8-11H2,1-3H3
InChIKey
NYIJLYSEHFCYGT-UHFFFAOYSA-N
Compound name
2-methoxyethyl 6-(4-acetyloxyphenyl)-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

418.11984 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.12712 195.7
[M+Na]+ 441.10906 206.8
[M+NH4]+ 436.15366 200.5
[M+K]+ 457.08300 200.0
[M-H]- 417.11256 196.8
[M+Na-2H]- 439.09451 198.8
[M]+ 418.11929 197.8
[M]- 418.12039 197.8
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.