CID 3048141

D 737

Structural Information

Molecular Formula

C₂₀H₂₄N₄O₂S

SMILES

CN1CCN(CC1)CCCOC(=O)N2C3=CC=CC=C3SC4=C2N=CC=C4

InChI

InChI=1S/C20H24N4O2S/c1-22-11-13-23(14-12-22)10-5-15-26-20(25)24-16-6-2-3-7-17(16)27-18-8-4-9-21-19(18)24/h2-4,6-9H,5,10-15H2,1H3

InChIKey

PFYTUXBMXIBUQI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 384.162 Da
Monoisotopic Mass: 2.9
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]+	385.169276	190.4
[M+Na]+	407.151218	195.8
[M-H]-	383.154724	191.5
[M+NH4]+	402.195823	198.6
[M+K]+	423.125158	189.5
[M+H-H2O]+	367.159260	179.2
[M+HCOO]-	429.160201	195.8
[M+CH3COO]-	443.175851	197.0
[M+Na-2H]-	405.136666	192.2
[M]+	384.16145142	189.9
[M]-	384.16254858	189.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.