CID 3153569

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

Structural Information

Molecular Formula
C17H17FN2O3S
SMILES
CCOC(=O)C1=C(N=C2N(C1C3=CC(=CC=C3)F)C(=O)CCS2)C
InChI
InChI=1S/C17H17FN2O3S/c1-3-23-16(22)14-10(2)19-17-20(13(21)7-8-24-17)15(14)11-5-4-6-12(18)9-11/h4-6,9,15H,3,7-8H2,1-2H3
InChIKey
CCSMEPYHVANTJV-UHFFFAOYSA-N
Compound name
ethyl 6-(3-fluorophenyl)-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

348.0944 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.10168 178.3
[M+Na]+ 371.08362 186.5
[M-H]- 347.08712 181.6
[M+NH4]+ 366.12822 190.4
[M+K]+ 387.05756 181.4
[M+H-H2O]+ 331.09166 168.6
[M+HCOO]- 393.09260 188.3
[M+CH3COO]- 407.10825 212.1
[M+Na-2H]- 369.06907 177.5
[M]+ 348.09385 179.4
[M]- 348.09495 179.4
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.