CID 50970

Ethanone, 2-(diethylamino)-1-(2-(4-fluorophenyl)-1h-indol-3-yl)-

Structural Information

Molecular Formula
C20H21FN2O
SMILES
CCN(CC)CC(=O)C1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H21FN2O/c1-3-23(4-2)13-18(24)19-16-7-5-6-8-17(16)22-20(19)14-9-11-15(21)12-10-14/h5-12,22H,3-4,13H2,1-2H3
InChIKey
ZRVNXRVIQQDSCA-UHFFFAOYSA-N
Compound name
2-(diethylamino)-1-[2-(4-fluorophenyl)-1H-indol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.1638 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.171076 177.5
[M+Na]+ 347.153018 185.3
[M-H]- 323.156524 182.8
[M+NH4]+ 342.197623 192.8
[M+K]+ 363.126958 179.5
[M+H-H2O]+ 307.161060 168.0
[M+HCOO]- 369.162001 198.8
[M+CH3COO]- 383.177651 213.7
[M+Na-2H]- 345.138466 179.0
[M]+ 324.16325142 179.1
[M]- 324.16434858 179.1
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.