CID 45448

3-(2-piperidino-1-hydroxyethyl)phenanthrene hydrochloride

Structural Information

Molecular Formula
C21H23NO
SMILES
C1CCN(CC1)CC(C2=CC3=C(C=CC4=CC=CC=C43)C=C2)O
InChI
InChI=1S/C21H23NO/c23-21(15-22-12-4-1-5-13-22)18-11-10-17-9-8-16-6-2-3-7-19(16)20(17)14-18/h2-3,6-11,14,21,23H,1,4-5,12-13,15H2
InChIKey
BQUCGSZUJYQRJJ-UHFFFAOYSA-N
Compound name
1-phenanthren-3-yl-2-piperidin-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.17798 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.18526 174.1
[M+Na]+ 328.16720 189.9
[M+NH4]+ 323.21180 184.2
[M+K]+ 344.14114 179.9
[M-H]- 304.17070 180.1
[M+Na-2H]- 326.15265 182.7
[M]+ 305.17743 178.3
[M]- 305.17853 178.3
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.