CID 3048187

10h-pyrido(3,2-b)(1,4)benzothiazine-10-carboxamide, n-(2-piperazinoethyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₈H₂₁N₅OS

SMILES

C1CN(CCN1)CCNC(=O)N2C3=CC=CC=C3SC4=C2N=CC=C4

InChI

InChI=1S/C18H21N5OS/c24-18(21-10-13-22-11-8-19-9-12-22)23-14-4-1-2-5-15(14)25-16-6-3-7-20-17(16)23/h1-7,19H,8-13H2,(H,21,24)

InChIKey

HPQNVRUUIYCYED-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 355.14667 Da
Monoisotopic Mass: 1.5
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]+	356.153946	178.2
[M+Na]+	378.135888	182.8
[M-H]-	354.139394	178.0
[M+NH4]+	373.180493	186.5
[M+K]+	394.109828	175.4
[M+H-H2O]+	338.143930	167.8
[M+HCOO]-	400.144871	183.9
[M+CH3COO]-	414.160521	184.6
[M+Na-2H]-	376.121336	182.7
[M]+	355.14612142	173.3
[M]-	355.14721858	173.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.