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 179.7
[M+Na]+ 367.10870 187.4
[M-H]- 343.11220 184.3
[M+NH4]+ 362.15330 192.1
[M+K]+ 383.08264 182.6
[M+H-H2O]+ 327.11674 170.9
[M+HCOO]- 389.11768 190.4
[M+CH3COO]- 403.13333 212.4
[M+Na-2H]- 365.09415 179.0
[M]+ 344.11893 182.1
[M]- 344.12003 182.1
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.