CID 162892

N-desmethylzopiclone

Structural Information

Molecular Formula
C16H15ClN6O3
SMILES
C1CN(CCN1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl
InChI
InChI=1S/C16H15ClN6O3/c17-10-1-2-11(21-9-10)23-14(24)12-13(20-4-3-19-12)15(23)26-16(25)22-7-5-18-6-8-22/h1-4,9,15,18H,5-8H2
InChIKey
CGSFZSTXVVJLIX-UHFFFAOYSA-N
Compound name
[6-(5-chloropyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

15
Patents

374.08942 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.09670 184.0
[M+Na]+ 397.07864 197.4
[M+NH4]+ 392.12324 188.7
[M+K]+ 413.05258 193.6
[M-H]- 373.08214 185.1
[M+Na-2H]- 395.06409 189.2
[M]+ 374.08887 186.1
[M]- 374.08997 186.1
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