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]+ 296.164506 168.9
[M+Na]+ 318.146448 177.5
[M-H]- 294.149954 173.5
[M+NH4]+ 313.191053 185.9
[M+K]+ 334.120388 172.6
[M+H-H2O]+ 278.154490 161.5
[M+HCOO]- 340.155431 189.9
[M+CH3COO]- 354.171081 208.4
[M+Na-2H]- 316.131896 174.9
[M]+ 295.15668142 172.4
[M]- 295.15777858 172.4
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.