CID 45828

63977-95-7

Structural Information

Molecular Formula
C22H32N2O2
SMILES
CN1CC2CCC(C1)N2C(=O)C(CO)(C3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C22H32N2O2/c1-23-14-19-12-13-20(15-23)24(19)21(26)22(16-25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2,4-5,8-9,18-20,25H,3,6-7,10-16H2,1H3
InChIKey
HUAOWAKTVMUAOA-UHFFFAOYSA-N
Compound name
2-cyclohexyl-3-hydroxy-1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.24637 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.25365 189.1
[M+Na]+ 379.23559 197.8
[M+NH4]+ 374.28019 196.5
[M+K]+ 395.20953 193.3
[M-H]- 355.23909 191.6
[M+Na-2H]- 377.22104 191.8
[M]+ 356.24582 190.8
[M]- 356.24692 190.8
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.