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]+ 322.216536 180.6
[M+Na]+ 344.198478 186.0
[M-H]- 320.201984 186.3
[M+NH4]+ 339.243083 197.8
[M+K]+ 360.172418 179.3
[M+H-H2O]+ 304.206520 171.5
[M+HCOO]- 366.207461 195.6
[M+CH3COO]- 380.223111 189.9
[M+Na-2H]- 342.183926 182.0
[M]+ 321.20871142 177.0
[M]- 321.20980858 177.0
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