CID 110645

Alpha-(diethylaminomethyl)-3-phenanthrenemethanol hydrochloride

Structural Information

Molecular Formula
C20H23NO
SMILES
CCN(CC)CC(C1=CC2=C(C=C1)C3=CC=CC=C3C=C2)O
InChI
InChI=1S/C20H23NO/c1-3-21(4-2)14-20(22)17-11-12-19-16(13-17)10-9-15-7-5-6-8-18(15)19/h5-13,20,22H,3-4,14H2,1-2H3
InChIKey
IXRRMAYEBUOWMD-UHFFFAOYSA-N
Compound name
2-(diethylamino)-1-phenanthren-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.17798 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 170.3
[M+Na]+ 316.16720 185.2
[M+NH4]+ 311.21180 180.1
[M+K]+ 332.14114 176.0
[M-H]- 292.17070 175.4
[M+Na-2H]- 314.15265 178.1
[M]+ 293.17743 174.1
[M]- 293.17853 174.1
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.