CID 134112

78114-63-3

Structural Information

Molecular Formula

C₂₂H₂₇FN₂O

SMILES

C1CC2=C(C1)C=C(C=C2)OCCCN3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H27FN2O/c23-20-6-8-21(9-7-20)25-14-12-24(13-15-25)11-2-16-26-22-10-5-18-3-1-4-19(18)17-22/h5-10,17H,1-4,11-16H2

InChIKey

DQAHJZNZWUQWQQ-UHFFFAOYSA-N

Compound name

1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-fluorophenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
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]+	355.21803	187.4
[M+Na]+	377.19997	191.6
[M-H]-	353.20347	192.3
[M+NH4]+	372.24457	199.5
[M+K]+	393.17391	185.0
[M+H-H2O]+	337.20801	175.2
[M+HCOO]-	399.20895	201.5
[M+CH3COO]-	413.22460	195.3
[M+Na-2H]-	375.18542	186.4
[M]+	354.21020	182.7
[M]-	354.21130	182.7

Literature stripe

literature stripe

Patent stripe

patents stripe