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]+ 298.180156 170.2
[M+Na]+ 320.162098 176.8
[M-H]- 296.165604 173.9
[M+NH4]+ 315.206703 186.9
[M+K]+ 336.136038 172.2
[M+H-H2O]+ 280.170140 162.9
[M+HCOO]- 342.171081 188.3
[M+CH3COO]- 356.186731 209.0
[M+Na-2H]- 318.147546 174.3
[M]+ 297.17233142 170.8
[M]- 297.17342858 170.8
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.