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]+ 301.191056 173.7
[M+Na]+ 323.172998 178.2
[M-H]- 299.176504 175.2
[M+NH4]+ 318.217603 189.9
[M+K]+ 339.146938 171.8
[M+H-H2O]+ 283.181040 164.9
[M+HCOO]- 345.181981 183.1
[M+CH3COO]- 359.197631 181.6
[M+Na-2H]- 321.158446 174.5
[M]+ 300.18323142 164.8
[M]- 300.18432858 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.