CID 380280

101858-24-6

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]+ 308.200876 176.0
[M+Na]+ 330.182818 180.9
[M-H]- 306.186324 181.4
[M+NH4]+ 325.227423 193.5
[M+K]+ 346.156758 174.4
[M+H-H2O]+ 290.190860 166.8
[M+HCOO]- 352.191801 191.4
[M+CH3COO]- 366.207451 185.3
[M+Na-2H]- 328.168266 178.6
[M]+ 307.19305142 171.6
[M]- 307.19414858 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.