CID 4990174

Isopropyl 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
C18H19FN2O3S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC(=CC=C3)F)C(=O)OC(C)C
InChI
InChI=1S/C18H19FN2O3S/c1-10(2)24-17(23)15-11(3)20-18-21(14(22)7-8-25-18)16(15)12-5-4-6-13(19)9-12/h4-6,9-10,16H,7-8H2,1-3H3
InChIKey
ZMXITDYTKIAPRS-UHFFFAOYSA-N
Compound name
propan-2-yl 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

362.11005 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.11733 183.6
[M+Na]+ 385.09927 195.5
[M+NH4]+ 380.14387 189.9
[M+K]+ 401.07321 187.5
[M-H]- 361.10277 184.9
[M+Na-2H]- 383.08472 187.4
[M]+ 362.10950 186.0
[M]- 362.11060 186.0
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.