CID 2927193

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

Structural Information

Molecular Formula
C18H19ClN2O4S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=CC=C3Cl)C(=O)OCCOC
InChI
InChI=1S/C18H19ClN2O4S/c1-11-15(17(23)25-9-8-24-2)16(12-5-3-4-6-13(12)19)21-14(22)7-10-26-18(21)20-11/h3-6,16H,7-10H2,1-2H3
InChIKey
PPZAJLBXFGDLAB-UHFFFAOYSA-N
Compound name
2-methoxyethyl 6-(2-chlorophenyl)-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

394.0754 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.08268 187.1
[M+Na]+ 417.06462 195.1
[M-H]- 393.06812 191.6
[M+NH4]+ 412.10922 198.3
[M+K]+ 433.03856 189.8
[M+H-H2O]+ 377.07266 178.9
[M+HCOO]- 439.07360 193.5
[M+CH3COO]- 453.08925 218.0
[M+Na-2H]- 415.05007 186.5
[M]+ 394.07485 193.1
[M]- 394.07595 193.1
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.