CID 3048181

D 290

Structural Information

Molecular Formula

C₁₆H₁₇N₃O₂S

SMILES

COCCCNC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3

InChI

InChI=1S/C16H17N3O2S/c1-21-11-5-10-18-16(20)19-12-6-2-3-7-13(12)22-14-8-4-9-17-15(14)19/h2-4,6-9H,5,10-11H2,1H3,(H,18,20)

InChIKey

DRXQILDFSOEPHJ-UHFFFAOYSA-N

Compound name

N-(3-methoxypropyl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 315.10416 Da
Monoisotopic Mass: 2.3
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]+	316.111436	168.9
[M+Na]+	338.093378	176.1
[M-H]-	314.096884	170.8
[M+NH4]+	333.137983	183.0
[M+K]+	354.067318	171.1
[M+H-H2O]+	298.101420	160.4
[M+HCOO]-	360.102361	182.3
[M+CH3COO]-	374.118011	178.7
[M+Na-2H]-	336.078826	174.8
[M]+	315.10361142	172.1
[M]-	315.10470858	172.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.