CID 3153567

2-methoxyethyl 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
C18H19FN2O4S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC(=CC=C3)F)C(=O)OCCOC
InChI
InChI=1S/C18H19FN2O4S/c1-11-15(17(23)25-8-7-24-2)16(12-4-3-5-13(19)10-12)21-14(22)6-9-26-18(21)20-11/h3-5,10,16H,6-9H2,1-2H3
InChIKey
QSMKBMMSRKNZES-UHFFFAOYSA-N
Compound name
2-methoxyethyl 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

378.10495 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.11223 185.6
[M+Na]+ 401.09417 193.0
[M-H]- 377.09767 188.7
[M+NH4]+ 396.13877 196.3
[M+K]+ 417.06811 188.4
[M+H-H2O]+ 361.10221 175.5
[M+HCOO]- 423.10315 195.4
[M+CH3COO]- 437.11880 217.2
[M+Na-2H]- 399.07962 184.6
[M]+ 378.10440 188.4
[M]- 378.10550 188.4
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.