CID 172879941

Chebi:233177

Structural Information

Molecular Formula
C19H26N2O2
SMILES
COC1=CC=C(C=C1)C[C@H]2CN[C@H]3CC4(N2C3)CCC(=O)CC4
InChI
InChI=1S/C19H26N2O2/c1-23-18-4-2-14(3-5-18)10-16-12-20-15-11-19(21(16)13-15)8-6-17(22)7-9-19/h2-5,15-16,20H,6-13H2,1H3/t15-,16-/m0/s1
InChIKey
CLJPQCXDNQXJBW-HOTGVXAUSA-N
Compound name
(2S,5S)-2-[(4-methoxyphenyl)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

314.19943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20671 177.9
[M+Na]+ 337.18865 182.2
[M-H]- 313.19215 180.5
[M+NH4]+ 332.23325 194.2
[M+K]+ 353.16259 176.4
[M+H-H2O]+ 297.19669 168.4
[M+HCOO]- 359.19763 188.4
[M+CH3COO]- 373.21328 185.9
[M+Na-2H]- 335.17410 178.4
[M]+ 314.19888 170.9
[M]- 314.19998 170.9
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.