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 181.8
[M+Na]+ 383.08362 189.8
[M-H]- 359.08712 184.9
[M+NH4]+ 378.12822 193.3
[M+K]+ 399.05756 183.8
[M+H-H2O]+ 343.09166 171.9
[M+HCOO]- 405.09260 191.5
[M+CH3COO]- 419.10825 214.3
[M+Na-2H]- 381.06907 180.4
[M]+ 360.09385 182.4
[M]- 360.09495 182.4
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.