CID 57191

9-benzyl-3-phenyl-3-granatanol

Structural Information

Molecular Formula
C21H25NO
SMILES
C1CC2CC(CC(C1)N2CC3=CC=CC=C3)OC4=CC=CC=C4
InChI
InChI=1S/C21H25NO/c1-3-8-17(9-4-1)16-22-18-10-7-11-19(22)15-21(14-18)23-20-12-5-2-6-13-20/h1-6,8-9,12-13,18-19,21H,7,10-11,14-16H2
InChIKey
XVEMGBKFDBUOBS-UHFFFAOYSA-N
Compound name
9-benzyl-3-phenoxy-9-azabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1936 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20088 176.6
[M+Na]+ 330.18282 191.5
[M+NH4]+ 325.22742 187.0
[M+K]+ 346.15676 180.9
[M-H]- 306.18632 183.4
[M+Na-2H]- 328.16827 185.0
[M]+ 307.19305 180.8
[M]- 307.19415 180.8
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.