CID 3041453

N,n,n-triethyl-2-((9-oxo-9h-fluoren-2-yl)oxy)ethanaminium iodide

Structural Information

Molecular Formula
C21H26NO2
SMILES
CC[N+](CC)(CC)CCOC1=CC2=C(C=C1)C3=CC=CC=C3C2=O
InChI
InChI=1S/C21H26NO2/c1-4-22(5-2,6-3)13-14-24-16-11-12-18-17-9-7-8-10-19(17)21(23)20(18)15-16/h7-12,15H,4-6,13-14H2,1-3H3/q+1
InChIKey
BDNTWLFOPFIUEI-UHFFFAOYSA-N
Compound name
triethyl-[2-(9-oxofluoren-2-yl)oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.19635 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.20363 181.0
[M+Na]+ 347.18557 188.2
[M-H]- 323.18907 187.6
[M+NH4]+ 342.23017 199.7
[M+K]+ 363.15951 178.2
[M+H-H2O]+ 307.19361 176.7
[M+HCOO]- 369.19455 202.7
[M+CH3COO]- 383.21020 210.0
[M+Na-2H]- 345.17102 188.2
[M]+ 324.19580 185.4
[M]- 324.19690 185.4
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.