CID 49645

Fluorene-9-carboxylic acid, 3-(4-pyridyl)propyl ester, hydrochloride

Structural Information

Molecular Formula
C22H19NO2
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)C(=O)OCCCC4=CC=NC=C4
InChI
InChI=1S/C22H19NO2/c24-22(25-15-5-6-16-11-13-23-14-12-16)21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-4,7-14,21H,5-6,15H2
InChIKey
QDGVSWSBOXESTM-UHFFFAOYSA-N
Compound name
3-pyridin-4-ylpropyl 9H-fluorene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.14157 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.14885 179.5
[M+Na]+ 352.13079 195.0
[M+NH4]+ 347.17539 188.8
[M+K]+ 368.10473 187.0
[M-H]- 328.13429 184.7
[M+Na-2H]- 350.11624 187.7
[M]+ 329.14102 183.3
[M]- 329.14212 183.3
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.