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-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

22
Patents

374.08942 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.096696 186.0
[M+Na]+ 397.078638 193.7
[M-H]- 373.082144 187.0
[M+NH4]+ 392.123243 191.8
[M+K]+ 413.052578 186.8
[M+H-H2O]+ 357.086680 173.4
[M+HCOO]- 419.087621 191.0
[M+CH3COO]- 433.103271 192.8
[M+Na-2H]- 395.064086 186.1
[M]+ 374.08887142 183.6
[M]- 374.08996858 183.6
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