CID 218689

3,4-phenanthrenediol, 9,10-dihydro-8-(2-(ethylmethylamino)ethyl)-, hydrobromide

Structural Information

Molecular Formula
C19H23NO2
SMILES
CCN(C)CCC1=C2CCC3=C(C2=CC=C1)C(=C(C=C3)O)O
InChI
InChI=1S/C19H23NO2/c1-3-20(2)12-11-13-5-4-6-16-15(13)9-7-14-8-10-17(21)19(22)18(14)16/h4-6,8,10,21-22H,3,7,9,11-12H2,1-2H3
InChIKey
YTKUEDSVLVKNOB-UHFFFAOYSA-N
Compound name
8-[2-[ethyl(methyl)amino]ethyl]-9,10-dihydrophenanthrene-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.17288 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18016 170.7
[M+Na]+ 320.16210 184.1
[M+NH4]+ 315.20670 179.8
[M+K]+ 336.13604 176.0
[M-H]- 296.16560 174.8
[M+Na-2H]- 318.14755 175.9
[M]+ 297.17233 173.8
[M]- 297.17343 173.8
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.