CID 218687

41191-11-1

Structural Information

Molecular Formula
C18H21NO2
SMILES
CN(C)CCC1=C2CCC3=C(C2=CC=C1)C(=C(C=C3)O)O
InChI
InChI=1S/C18H21NO2/c1-19(2)11-10-12-4-3-5-15-14(12)8-6-13-7-9-16(20)18(21)17(13)15/h3-5,7,9,20-21H,6,8,10-11H2,1-2H3
InChIKey
BPEUBGUYDBUQOR-UHFFFAOYSA-N
Compound name
8-[2-(dimethylamino)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

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 165.5
[M+Na]+ 306.14645 172.6
[M-H]- 282.14995 169.5
[M+NH4]+ 301.19105 182.9
[M+K]+ 322.12039 168.2
[M+H-H2O]+ 266.15449 158.5
[M+HCOO]- 328.15543 184.0
[M+CH3COO]- 342.17108 206.0
[M+Na-2H]- 304.13190 170.2
[M]+ 283.15668 165.8
[M]- 283.15778 165.8
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.