CID 9578615

10,11-dihydro-5h-benzo(4,5)cyclohepta(1,2-b)pyridin-5-one o-(3-alpha-tropanyl)oxime oxalate

Structural Information

Molecular Formula
C22H25N3O
SMILES
CN1[C@@H]2CC[C@H]1CC(C2)O/N=C\3/C4=C(CCC5=CC=CC=C53)N=CC=C4
InChI
InChI=1S/C22H25N3O/c1-25-16-9-10-17(25)14-18(13-16)26-24-22-19-6-3-2-5-15(19)8-11-21-20(22)7-4-12-23-21/h2-7,12,16-18H,8-11,13-14H2,1H3/b24-22+/t16-,17+,18?
InChIKey
KYRJDJAVERLCJW-VTAURYHESA-N
Compound name
(E)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.19977 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.20705 185.8
[M+Na]+ 370.18899 196.7
[M+NH4]+ 365.23359 194.5
[M+K]+ 386.16293 190.4
[M-H]- 346.19249 190.1
[M+Na-2H]- 368.17444 189.3
[M]+ 347.19922 188.6
[M]- 347.20032 188.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.