CID 3761990

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

Structural Information

Molecular Formula
C30H28N2O5S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)OCC5=CC=CC=C5
InChI
InChI=1S/C30H28N2O5S/c1-20-27(29(34)37-19-22-11-7-4-8-12-22)28(32-26(33)15-16-38-30(32)31-20)23-13-14-24(25(17-23)35-2)36-18-21-9-5-3-6-10-21/h3-14,17,28H,15-16,18-19H2,1-2H3
InChIKey
LNQTZECHUSQTHR-UHFFFAOYSA-N
Compound name
benzyl 6-(3-methoxy-4-phenylmethoxyphenyl)-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

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References

0
Patents

528.1719 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.17918 225.7
[M+Na]+ 551.16112 241.8
[M+NH4]+ 546.20572 232.1
[M+K]+ 567.13506 230.6
[M-H]- 527.16462 233.3
[M+Na-2H]- 549.14657 235.0
[M]+ 528.17135 230.8
[M]- 528.17245 230.8
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.