CID 45421

2-aminofluorene-9-carboxylic acid 2-(diethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C20H24N2O2
SMILES
CCN(CC)CCOC(=O)C1C2=CC=CC=C2C3=C1C=C(C=C3)N
InChI
InChI=1S/C20H24N2O2/c1-3-22(4-2)11-12-24-20(23)19-17-8-6-5-7-15(17)16-10-9-14(21)13-18(16)19/h5-10,13,19H,3-4,11-12,21H2,1-2H3
InChIKey
UDHWEBSPRVKQEL-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-amino-9H-fluorene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.18378 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.19106 179.4
[M+Na]+ 347.17300 185.5
[M-H]- 323.17650 185.3
[M+NH4]+ 342.21760 197.4
[M+K]+ 363.14694 181.8
[M+H-H2O]+ 307.18104 171.8
[M+HCOO]- 369.18198 202.0
[M+CH3COO]- 383.19763 218.9
[M+Na-2H]- 345.15845 181.2
[M]+ 324.18323 182.7
[M]- 324.18433 182.7
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.