CID 3038908

3,4-phenanthrenediol, 9,10-dihydro-9-(dimethylamino)-8-ethyl-, hydrobromide, (r)-

Structural Information

Molecular Formula
C18H21NO2
SMILES
CCC1=C2[C@@H](CC3=C(C2=CC=C1)C(=C(C=C3)O)O)N(C)C
InChI
InChI=1S/C18H21NO2/c1-4-11-6-5-7-13-16(11)14(19(2)3)10-12-8-9-15(20)18(21)17(12)13/h5-9,14,20-21H,4,10H2,1-3H3/t14-/m1/s1
InChIKey
BKBCUTKKIAFDIY-CQSZACIVSA-N
Compound name
(9R)-9-(dimethylamino)-8-ethyl-9,10-dihydrophenanthrene-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 166.0
[M+Na]+ 306.14645 180.0
[M+NH4]+ 301.19105 175.3
[M+K]+ 322.12039 172.4
[M-H]- 282.14995 170.3
[M+Na-2H]- 304.13190 171.3
[M]+ 283.15668 169.3
[M]- 283.15778 169.3
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.