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 183.9
[M+Na]+ 358.21412 185.6
[M-H]- 334.21762 190.0
[M+NH4]+ 353.25872 197.2
[M+K]+ 374.18806 179.8
[M+H-H2O]+ 318.22216 174.4
[M+HCOO]- 380.22310 196.6
[M+CH3COO]- 394.23875 191.6
[M+Na-2H]- 356.19957 181.3
[M]+ 335.22435 176.7
[M]- 335.22545 176.7
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

No patent data available for this compound.