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 190.4
[M+Na]+ 377.19997 203.0
[M+NH4]+ 372.24457 198.5
[M+K]+ 393.17391 195.1
[M-H]- 353.20347 194.8
[M+Na-2H]- 375.18542 196.8
[M]+ 354.21020 193.4
[M]- 354.21130 193.4
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

patents stripe