CID 3696897

Methyl 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
C18H20N2O3S
SMILES
CCC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)CCS3)C)C(=O)OC
InChI
InChI=1S/C18H20N2O3S/c1-4-12-5-7-13(8-6-12)16-15(17(22)23-3)11(2)19-18-20(16)14(21)9-10-24-18/h5-8,16H,4,9-10H2,1-3H3
InChIKey
WZOBGDYNCRAPBV-UHFFFAOYSA-N
Compound name
methyl 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

344.11948 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.12676 180.1
[M+Na]+ 367.10870 193.5
[M+NH4]+ 362.15330 187.4
[M+K]+ 383.08264 184.6
[M-H]- 343.11220 183.2
[M+Na-2H]- 365.09415 185.1
[M]+ 344.11893 183.3
[M]- 344.12003 183.3
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.

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No patent data available for this compound.