CID 3048133

D 232

Structural Information

Molecular Formula

C₁₇H₁₉N₃O₂S

SMILES

CN(C)CCCOC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3

InChI

InChI=1S/C17H19N3O2S/c1-19(2)11-6-12-22-17(21)20-13-7-3-4-8-14(13)23-15-9-5-10-18-16(15)20/h3-5,7-10H,6,11-12H2,1-2H3

InChIKey

QGFPSOJNVAAJIV-UHFFFAOYSA-N

Compound name

3-(dimethylamino)propyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 329.1198 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]+	330.127076	174.1
[M+Na]+	352.109018	180.9
[M-H]-	328.112524	177.3
[M+NH4]+	347.153623	188.2
[M+K]+	368.082958	177.1
[M+H-H2O]+	312.117060	165.2
[M+HCOO]-	374.118001	187.6
[M+CH3COO]-	388.133651	213.1
[M+Na-2H]-	350.094466	178.8
[M]+	329.11925142	178.9
[M]-	329.12034858	178.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.