CID 3701401

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

Structural Information

Molecular Formula
C25H24N2O6S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC(=C(C=C3)OC(=O)C)OC)C(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C25H24N2O6S/c1-15-22(24(30)32-14-17-7-5-4-6-8-17)23(27-21(29)11-12-34-25(27)26-15)18-9-10-19(33-16(2)28)20(13-18)31-3/h4-10,13,23H,11-12,14H2,1-3H3
InChIKey
UUXNBZNLYVYDOS-UHFFFAOYSA-N
Compound name
benzyl 6-(4-acetyloxy-3-methoxyphenyl)-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

480.1355 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.14278 211.1
[M+Na]+ 503.12472 224.5
[M+NH4]+ 498.16932 216.3
[M+K]+ 519.09866 216.3
[M-H]- 479.12822 215.1
[M+Na-2H]- 501.11017 217.0
[M]+ 480.13495 214.5
[M]- 480.13605 214.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.