CID 3060439

78114-74-6

Structural Information

Molecular Formula

C₂₂H₂₇FN₂O

SMILES

C1CC2=CC(=C(C=C2C1)F)OCCCN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H27FN2O/c23-21-16-18-6-4-7-19(18)17-22(21)26-15-5-10-24-11-13-25(14-12-24)20-8-2-1-3-9-20/h1-3,8-9,16-17H,4-7,10-15H2

InChIKey

HDCDCNQOCFAIKI-UHFFFAOYSA-N

Compound name

1-[3-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propyl]-4-phenylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 354.21075 Da
Monoisotopic Mass: 4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	355.218026	187.4
[M+Na]+	377.199968	191.6
[M-H]-	353.203474	192.3
[M+NH4]+	372.244573	199.5
[M+K]+	393.173908	185.0
[M+H-H2O]+	337.208010	175.2
[M+HCOO]-	399.208951	201.5
[M+CH3COO]-	413.224601	195.3
[M+Na-2H]-	375.185416	186.4
[M]+	354.21020142	182.7
[M]-	354.21129858	182.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe