CID 619280

130832-78-9

Structural Information

Molecular Formula

C₁₆H₂₂N₂O₃S

SMILES

CCN(CC)C1(C(=O)NC2=C(S1)C=C(C=C2)C)C(=O)OCC

InChI

InChI=1S/C16H22N2O3S/c1-5-18(6-2)16(15(20)21-7-3)14(19)17-12-9-8-11(4)10-13(12)22-16/h8-10H,5-7H2,1-4H3,(H,17,19)

InChIKey

DGOYFIDOIXRNRT-UHFFFAOYSA-N

Compound name

ethyl 2-(diethylamino)-7-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 322.1351 Da
Monoisotopic Mass: 3.0
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]+	323.142376	172.6
[M+Na]+	345.124318	178.7
[M-H]-	321.127824	175.0
[M+NH4]+	340.168923	188.9
[M+K]+	361.098258	175.7
[M+H-H2O]+	305.132360	166.0
[M+HCOO]-	367.133301	185.1
[M+CH3COO]-	381.148951	210.4
[M+Na-2H]-	343.109766	174.0
[M]+	322.13455142	176.2
[M]-	322.13564858	176.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.