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]+ 315.206706 178.2
[M+Na]+ 337.188648 183.5
[M-H]- 313.192154 181.2
[M+NH4]+ 332.233253 194.8
[M+K]+ 353.162588 177.7
[M+H-H2O]+ 297.196690 169.1
[M+HCOO]- 359.197631 188.7
[M+CH3COO]- 373.213281 186.6
[M+Na-2H]- 335.174096 178.1
[M]+ 314.19888142 171.7
[M]- 314.19997858 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.