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]+ 419.127116 195.4
[M+Na]+ 441.109058 201.1
[M-H]- 417.112564 199.5
[M+NH4]+ 436.153663 204.1
[M+K]+ 457.082998 198.1
[M+H-H2O]+ 401.117100 186.0
[M+HCOO]- 463.118041 205.1
[M+CH3COO]- 477.133691 224.4
[M+Na-2H]- 439.094506 193.7
[M]+ 418.11929142 201.3
[M]- 418.12038858 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.