CID 3780474

Salor-int l429821-1ea

Structural Information

Molecular Formula
C19H21FN2O3S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC(=CC=C3)F)C(=O)OCC(C)C
InChI
InChI=1S/C19H21FN2O3S/c1-11(2)10-25-18(24)16-12(3)21-19-22(15(23)7-8-26-19)17(16)13-5-4-6-14(20)9-13/h4-6,9,11,17H,7-8,10H2,1-3H3
InChIKey
RHDOYTOWXYPTSQ-UHFFFAOYSA-N
Compound name
2-methylpropyl 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

376.1257 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.13298 187.9
[M+Na]+ 399.11492 199.5
[M+NH4]+ 394.15952 194.0
[M+K]+ 415.08886 191.4
[M-H]- 375.11842 189.2
[M+Na-2H]- 397.10037 191.5
[M]+ 376.12515 190.2
[M]- 376.12625 190.2
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.