CID 172879936

Chebi:233175

Structural Information

Molecular Formula
C18H24N2O2
SMILES
C1CC2(CCC1=O)C[C@H]3CN2[C@H](CN3)CC4=CC=C(C=C4)O
InChI
InChI=1S/C18H24N2O2/c21-16-3-1-13(2-4-16)9-15-11-19-14-10-18(20(15)12-14)7-5-17(22)6-8-18/h1-4,14-15,19,21H,5-12H2/t14-,15-/m0/s1
InChIKey
ZWZYLNMDEATSAO-GJZGRUSLSA-N
Compound name
(2S,5S)-2-[(4-hydroxyphenyl)methyl]spiro[1,4-diazabicyclo[3.2.1]octane-7,4'-cyclohexane]-1'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.18378 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19106 173.7
[M+Na]+ 323.17300 178.2
[M-H]- 299.17650 175.2
[M+NH4]+ 318.21760 189.9
[M+K]+ 339.14694 171.8
[M+H-H2O]+ 283.18104 164.9
[M+HCOO]- 345.18198 183.1
[M+CH3COO]- 359.19763 181.6
[M+Na-2H]- 321.15845 174.5
[M]+ 300.18323 164.8
[M]- 300.18433 164.8
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.