CID 52660

Nsc 95515

Structural Information

Molecular Formula
C23H35NO
SMILES
C1CCC(CC1)C(CCN2CCC3CCC(C3)C2)(C4=CC=CC=C4)O
InChI
InChI=1S/C23H35NO/c25-23(21-7-3-1-4-8-21,22-9-5-2-6-10-22)14-16-24-15-13-19-11-12-20(17-19)18-24/h1,3-4,7-8,19-20,22,25H,2,5-6,9-18H2
InChIKey
YTKGWTCAIJTXJU-UHFFFAOYSA-N
Compound name
3-(3-azabicyclo[4.2.1]nonan-3-yl)-1-cyclohexyl-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.27185 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.27913 186.8
[M+Na]+ 364.26107 185.5
[M-H]- 340.26457 191.5
[M+NH4]+ 359.30567 199.5
[M+K]+ 380.23501 182.6
[M+H-H2O]+ 324.26911 179.1
[M+HCOO]- 386.27005 195.5
[M+CH3COO]- 400.28570 192.8
[M+Na-2H]- 362.24652 185.8
[M]+ 341.27130 175.2
[M]- 341.27240 175.2
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.