CID 49643

Fluorene-9-carboxylic acid, 3-(2-pyridyl)propyl ester, hydrochloride

Structural Information

Molecular Formula
C22H19NO2
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)C(=O)OCCCC4=CC=CC=N4
InChI
InChI=1S/C22H19NO2/c24-22(25-15-7-9-16-8-5-6-14-23-16)21-19-12-3-1-10-17(19)18-11-2-4-13-20(18)21/h1-6,8,10-14,21H,7,9,15H2
InChIKey
MCHRPZVVYLJYHW-UHFFFAOYSA-N
Compound name
3-pyridin-2-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 179.6
[M+Na]+ 352.13079 186.9
[M-H]- 328.13429 186.4
[M+NH4]+ 347.17539 195.4
[M+K]+ 368.10473 180.8
[M+H-H2O]+ 312.13883 170.3
[M+HCOO]- 374.13977 199.7
[M+CH3COO]- 388.15542 190.3
[M+Na-2H]- 350.11624 183.7
[M]+ 329.14102 182.1
[M]- 329.14212 182.1
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.