CID 218696

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

Structural Information

Molecular Formula
C19H21NO2
SMILES
CCN(C)CCC1=C2C=CC3=C(C2=CC=C1)C(=C(C=C3)O)O
InChI
InChI=1S/C19H21NO2/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/h4-10,21-22H,3,11-12H2,1-2H3
InChIKey
YGDHAJQXOLBOAG-UHFFFAOYSA-N
Compound name
8-[2-[ethyl(methyl)amino]ethyl]phenanthrene-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.15723 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 169.2
[M+Na]+ 318.14645 184.5
[M+NH4]+ 313.19105 178.4
[M+K]+ 334.12039 175.9
[M-H]- 294.14995 173.8
[M+Na-2H]- 316.13190 176.2
[M]+ 295.15668 172.9
[M]- 295.15778 172.9
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.