CID 41803

6-azabicyclo(3.2.1)octane, 1-(m-hydroxyphenyl)-7-methyl-6-phenethyl-, hydrochloride

Structural Information

Molecular Formula
C22H27NO
SMILES
CC1C2(CCCC(C2)N1CCC3=CC=CC=C3)C4=CC(=CC=C4)O
InChI
InChI=1S/C22H27NO/c1-17-22(19-9-5-11-21(24)15-19)13-6-10-20(16-22)23(17)14-12-18-7-3-2-4-8-18/h2-5,7-9,11,15,17,20,24H,6,10,12-14,16H2,1H3
InChIKey
SKGYWJSZDKRVJZ-UHFFFAOYSA-N
Compound name
3-[7-methyl-6-(2-phenylethyl)-6-azabicyclo[3.2.1]octan-1-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

321.20926 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.21654 181.2
[M+Na]+ 344.19848 194.7
[M+NH4]+ 339.24308 192.3
[M+K]+ 360.17242 184.9
[M-H]- 320.20198 186.8
[M+Na-2H]- 342.18393 188.9
[M]+ 321.20871 185.0
[M]- 321.20981 185.0
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

patents stripe