CID 162548

Zopiclone n-oxide

Structural Information

Molecular Formula
C17H17ClN6O4
SMILES
C[N+]1(CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl)[O-]
InChI
InChI=1S/C17H17ClN6O4/c1-24(27)8-6-22(7-9-24)17(26)28-16-14-13(19-4-5-20-14)15(25)23(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3
InChIKey
IPTIKKTXLHVRKN-UHFFFAOYSA-N
Compound name
[6-(5-chloropyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-4-oxidopiperazin-4-ium-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

8
Patents

404.09998 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.10726 191.5
[M+Na]+ 427.08920 198.7
[M-H]- 403.09270 192.8
[M+NH4]+ 422.13380 197.8
[M+K]+ 443.06314 188.1
[M+H-H2O]+ 387.09724 183.3
[M+HCOO]- 449.09818 196.5
[M+CH3COO]- 463.11383 208.1
[M+Na-2H]- 425.07465 194.7
[M]+ 404.09943 188.2
[M]- 404.10053 188.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe