CID 3861285

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

Structural Information

Molecular Formula
C23H30N2O6S
SMILES
CCCOC1=C(C=C(C=C1)C2C(=C(N=C3N2C(=O)CCS3)C)C(=O)OCCOC)OCC
InChI
InChI=1S/C23H30N2O6S/c1-5-10-30-17-8-7-16(14-18(17)29-6-2)21-20(22(27)31-12-11-28-4)15(3)24-23-25(21)19(26)9-13-32-23/h7-8,14,21H,5-6,9-13H2,1-4H3
InChIKey
PBNKTCHXHACOHL-UHFFFAOYSA-N
Compound name
2-methoxyethyl 6-(3-ethoxy-4-propoxyphenyl)-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

462.18246 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.18974 210.7
[M+Na]+ 485.17168 221.8
[M+NH4]+ 480.21628 215.4
[M+K]+ 501.14562 213.7
[M-H]- 461.17518 212.2
[M+Na-2H]- 483.15713 213.1
[M]+ 462.18191 213.0
[M]- 462.18301 213.0
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.

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No patent data available for this compound.