CID 3153566

618075-57-3

Structural Information

Molecular Formula
C18H17FN2O3S
SMILES
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC(=CC=C3)F)C(=O)OCC=C
InChI
InChI=1S/C18H17FN2O3S/c1-3-8-24-17(23)15-11(2)20-18-21(14(22)7-9-25-18)16(15)12-5-4-6-13(19)10-12/h3-6,10,16H,1,7-9H2,2H3
InChIKey
IMGKXJYBYVQWJX-UHFFFAOYSA-N
Compound name
prop-2-enyl 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

360.0944 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.10168 183.8
[M+Na]+ 383.08362 196.0
[M+NH4]+ 378.12822 189.9
[M+K]+ 399.05756 187.2
[M-H]- 359.08712 185.0
[M+Na-2H]- 381.06907 187.7
[M]+ 360.09385 186.2
[M]- 360.09495 186.2
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.