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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	363.117326	182.0
[M+Na]+	385.099268	189.4
[M-H]-	361.102774	185.2
[M+NH4]+	380.143873	193.5
[M+K]+	401.073208	184.6
[M+H-H2O]+	345.107310	172.4
[M+HCOO]-	407.108251	190.6
[M+CH3COO]-	421.123901	215.9
[M+Na-2H]-	383.084716	179.8
[M]+	362.10950142	182.9
[M]-	362.11059858	182.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.