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 195.4
[M+Na]+ 441.10906 201.1
[M-H]- 417.11256 199.5
[M+NH4]+ 436.15366 204.1
[M+K]+ 457.08300 198.1
[M+H-H2O]+ 401.11710 186.0
[M+HCOO]- 463.11804 205.1
[M+CH3COO]- 477.13369 224.4
[M+Na-2H]- 439.09451 193.7
[M]+ 418.11929 201.3
[M]- 418.12039 201.3
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.