CID 6428031

Zopiclone-n-oxide

Structural Information

Molecular Formula

C₁₇H₁₇ClN₆O₄

SMILES

CN1CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)[N+]2(C4=NC=C(C=C4)Cl)[O-]

InChI

InChI=1S/C17H17ClN6O4/c1-22-6-8-23(9-7-22)17(26)28-16-14-13(19-4-5-20-14)15(25)24(16,27)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3

InChIKey

DBSAMPORSYCNLC-UHFFFAOYSA-N

Compound name

[6-(5-chloro-2-pyridinyl)-6-oxido-5-oxo-7H-pyrrolo[3,4-b]pyrazin-6-ium-7-yl] 4-methylpiperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 404.09998 Da
Monoisotopic Mass: 0.2
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]+	405.107256	191.5
[M+Na]+	427.089198	198.7
[M-H]-	403.092704	192.8
[M+NH4]+	422.133803	197.8
[M+K]+	443.063138	188.1
[M+H-H2O]+	387.097240	183.3
[M+HCOO]-	449.098181	196.5
[M+CH3COO]-	463.113831	208.1
[M+Na-2H]-	425.074646	194.7
[M]+	404.09943142	188.2
[M]-	404.10052858	188.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe