CID 45448

63918-86-5

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]+ 306.185256 172.3
[M+Na]+ 328.167198 177.3
[M-H]- 304.170704 176.7
[M+NH4]+ 323.211803 186.3
[M+K]+ 344.141138 170.7
[M+H-H2O]+ 288.175240 162.5
[M+HCOO]- 350.176181 187.0
[M+CH3COO]- 364.191831 181.4
[M+Na-2H]- 326.152646 177.5
[M]+ 305.17743142 168.2
[M]- 305.17852858 168.2
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.