CID 3780474

618075-69-7

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 186.4
[M+Na]+ 399.11492 193.3
[M-H]- 375.11842 189.3
[M+NH4]+ 394.15952 197.2
[M+K]+ 415.08886 188.3
[M+H-H2O]+ 359.12296 176.6
[M+HCOO]- 421.12390 194.6
[M+CH3COO]- 435.13955 218.8
[M+Na-2H]- 397.10037 183.7
[M]+ 376.12515 187.6
[M]- 376.12625 187.6
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.