CID 3048815

63998-33-4

Structural Information

Molecular Formula
C23H29NO
SMILES
CC(C(C1=CC2=C(CCC2)C=C1)O)N3CCC(CC3)C4=CC=CC=C4
InChI
InChI=1S/C23H29NO/c1-17(23(25)22-11-10-19-8-5-9-21(19)16-22)24-14-12-20(13-15-24)18-6-3-2-4-7-18/h2-4,6-7,10-11,16-17,20,23,25H,5,8-9,12-15H2,1H3
InChIKey
POZAFSZLBUDXBV-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-phenylpiperidin-1-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.2249 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.23218 185.1
[M+Na]+ 358.21412 197.2
[M+NH4]+ 353.25872 194.3
[M+K]+ 374.18806 190.6
[M-H]- 334.21762 191.1
[M+Na-2H]- 356.19957 191.8
[M]+ 335.22435 188.5
[M]- 335.22545 188.5
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.