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]+ 282.14885 164.2
[M+Na]+ 304.13079 173.3
[M-H]- 280.13429 169.0
[M+NH4]+ 299.17539 181.8
[M+K]+ 320.10473 168.6
[M+H-H2O]+ 264.13883 157.0
[M+HCOO]- 326.13977 185.5
[M+CH3COO]- 340.15542 205.4
[M+Na-2H]- 302.11624 170.8
[M]+ 281.14102 167.4
[M]- 281.14212 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.