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

Adduct m/z Predicted CCS (Ų)
[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
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

patents stripe