CID 49645

67227-28-5

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]+ 330.148846 179.6
[M+Na]+ 352.130788 186.9
[M-H]- 328.134294 186.4
[M+NH4]+ 347.175393 195.4
[M+K]+ 368.104728 180.8
[M+H-H2O]+ 312.138830 170.3
[M+HCOO]- 374.139771 199.7
[M+CH3COO]- 388.155421 190.3
[M+Na-2H]- 350.116236 183.7
[M]+ 329.14102142 182.1
[M]- 329.14211858 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.