CID 172879929

Chebi:233176

Structural Information

Molecular Formula
C19H26N2O2
SMILES
CN1C[C@@H](N2C[C@@H]1CC23CCC(=O)CC3)CC4=CC=C(C=C4)O
InChI
InChI=1S/C19H26N2O2/c1-20-12-15(10-14-2-4-17(22)5-3-14)21-13-16(20)11-19(21)8-6-18(23)7-9-19/h2-5,15-16,22H,6-13H2,1H3/t15-,16-/m0/s1
InChIKey
UOLVYJLXRCPWLB-HOTGVXAUSA-N
Compound name
(2S,5S)-2-[(4-hydroxyphenyl)methyl]-4-methylspiro[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

314.19943 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20671 178.2
[M+Na]+ 337.18865 183.5
[M-H]- 313.19215 181.2
[M+NH4]+ 332.23325 194.8
[M+K]+ 353.16259 177.7
[M+H-H2O]+ 297.19669 169.1
[M+HCOO]- 359.19763 188.7
[M+CH3COO]- 373.21328 186.6
[M+Na-2H]- 335.17410 178.1
[M]+ 314.19888 171.7
[M]- 314.19998 171.7
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.