CID 380280

8-(2-phenylethyl)-3-phenyl-3-nortropanol

Structural Information

Molecular Formula
C21H25NO
SMILES
C1CC2CC(CC1N2CCC3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C21H25NO/c23-21(18-9-5-2-6-10-18)15-19-11-12-20(16-21)22(19)14-13-17-7-3-1-4-8-17/h1-10,19-20,23H,11-16H2
InChIKey
GCNACBRBJGYUFP-UHFFFAOYSA-N
Compound name
3-phenyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1936 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20088 176.0
[M+Na]+ 330.18282 180.9
[M-H]- 306.18632 181.4
[M+NH4]+ 325.22742 193.5
[M+K]+ 346.15676 174.4
[M+H-H2O]+ 290.19086 166.8
[M+HCOO]- 352.19180 191.4
[M+CH3COO]- 366.20745 185.3
[M+Na-2H]- 328.16827 178.6
[M]+ 307.19305 171.6
[M]- 307.19415 171.6
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.