CID 3038906

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

Structural Information

Molecular Formula
C18H19NO2
SMILES
CN(C)CCC1=C2C=CC3=C(C2=CC=C1)C(=C(C=C3)O)O
InChI
InChI=1S/C18H19NO2/c1-19(2)11-10-12-4-3-5-15-14(12)8-6-13-7-9-16(20)18(21)17(13)15/h3-9,20-21H,10-11H2,1-2H3
InChIKey
GIMMLTKLTOBBIG-UHFFFAOYSA-N
Compound name
8-[2-(dimethylamino)ethyl]phenanthrene-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.14157 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.148846 164.2
[M+Na]+ 304.130788 173.3
[M-H]- 280.134294 169.0
[M+NH4]+ 299.175393 181.8
[M+K]+ 320.104728 168.6
[M+H-H2O]+ 264.138830 157.0
[M+HCOO]- 326.139771 185.5
[M+CH3COO]- 340.155421 205.4
[M+Na-2H]- 302.116236 170.8
[M]+ 281.14102142 167.4
[M]- 281.14211858 167.4
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.