CID 3153545

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

Structural Information

Molecular Formula
C20H24N2O4S
SMILES
CCC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)CCS3)C)C(=O)OCCOC
InChI
InChI=1S/C20H24N2O4S/c1-4-14-5-7-15(8-6-14)18-17(19(24)26-11-10-25-3)13(2)21-20-22(18)16(23)9-12-27-20/h5-8,18H,4,9-12H2,1-3H3
InChIKey
ULLBWXQOLLAKSY-UHFFFAOYSA-N
Compound name
2-methoxyethyl 6-(4-ethylphenyl)-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

388.1457 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.15298 191.7
[M+Na]+ 411.13492 204.2
[M+NH4]+ 406.17952 198.1
[M+K]+ 427.10886 195.4
[M-H]- 387.13842 194.3
[M+Na-2H]- 409.12037 195.8
[M]+ 388.14515 194.6
[M]- 388.14625 194.6
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.