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 188.4
[M+Na]+ 417.06462 202.1
[M+NH4]+ 412.10922 195.4
[M+K]+ 433.03856 192.9
[M-H]- 393.06812 191.1
[M+Na-2H]- 415.05007 193.1
[M]+ 394.07485 191.8
[M]- 394.07595 191.8
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.

Patent stripe

No patent data available for this compound.