CID 3095873

Methyl 6-(4-chlorophenyl)-8-methyl-4-oxo-3,4-dihydro-2h,6h-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

Structural Information

Molecular Formula

C₁₆H₁₅ClN₂O₃S

SMILES

CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C16H15ClN2O3S/c1-9-13(15(21)22-2)14(10-3-5-11(17)6-4-10)19-12(20)7-8-23-16(19)18-9/h3-6,14H,7-8H2,1-2H3

InChIKey

FKKPNGBLMMBXNO-UHFFFAOYSA-N

Compound name

methyl 6-(4-chlorophenyl)-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: 350.0492 Da
Monoisotopic Mass: 2.5
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]+	351.056476	175.8
[M+Na]+	373.038418	185.1
[M-H]-	349.041924	180.8
[M+NH4]+	368.083023	188.9
[M+K]+	389.012358	179.5
[M+H-H2O]+	333.046460	168.1
[M+HCOO]-	395.047401	182.7
[M+CH3COO]-	409.063051	210.1
[M+Na-2H]-	371.023866	175.8
[M]+	350.04865142	179.7
[M]-	350.04974858	179.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.