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 180.6
[M+Na]+ 344.19848 186.0
[M-H]- 320.20198 186.3
[M+NH4]+ 339.24308 197.8
[M+K]+ 360.17242 179.3
[M+H-H2O]+ 304.20652 171.5
[M+HCOO]- 366.20746 195.6
[M+CH3COO]- 380.22311 189.9
[M+Na-2H]- 342.18393 182.0
[M]+ 321.20871 177.0
[M]- 321.20981 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