CID 3051133

Phenanthrene-9-carboxylic acid, 2-(diethylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C21H23NO2
SMILES
CCN(CC)CCOC(=O)C1=CC2=CC=CC=C2C3=CC=CC=C31
InChI
InChI=1S/C21H23NO2/c1-3-22(4-2)13-14-24-21(23)20-15-16-9-5-6-10-17(16)18-11-7-8-12-19(18)20/h5-12,15H,3-4,13-14H2,1-2H3
InChIKey
HSYGAYAPLMSMIS-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl phenanthrene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

321.17288 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18016 176.7
[M+Na]+ 344.16210 191.6
[M+NH4]+ 339.20670 185.9
[M+K]+ 360.13604 182.3
[M-H]- 320.16560 181.6
[M+Na-2H]- 342.14755 184.4
[M]+ 321.17233 180.4
[M]- 321.17343 180.4
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.