CID 34027

Fluorene-9-carboxylic acid, 2-(dibutylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C24H31NO2
SMILES
CCCCN(CCCC)CCOC(=O)C1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C24H31NO2/c1-3-5-15-25(16-6-4-2)17-18-27-24(26)23-21-13-9-7-11-19(21)20-12-8-10-14-22(20)23/h7-14,23H,3-6,15-18H2,1-2H3
InChIKey
XIEXADNILQAOGJ-UHFFFAOYSA-N
Compound name
2-(dibutylamino)ethyl 9H-fluorene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.23547 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.242746 195.2
[M+Na]+ 388.224688 199.4
[M-H]- 364.228194 200.4
[M+NH4]+ 383.269293 211.7
[M+K]+ 404.198628 194.9
[M+H-H2O]+ 348.232730 186.7
[M+HCOO]- 410.233671 215.9
[M+CH3COO]- 424.249321 225.0
[M+Na-2H]- 386.210136 195.7
[M]+ 365.23492142 201.0
[M]- 365.23601858 201.0
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.