CID 23620734

Ns00088873

Structural Information

Molecular Formula
C32H39NO2
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4O
InChI
InChI=1S/C32H39NO2/c1-32(2,3)27-17-15-24(16-18-27)29(34)14-9-21-33-22-19-26(20-23-33)31(25-10-5-4-6-11-25)28-12-7-8-13-30(28)35/h4-8,10-13,15-18,26,31,35H,9,14,19-23H2,1-3H3
InChIKey
VUBAGPFCNDYNOA-UHFFFAOYSA-N
Compound name
1-(4-tert-butylphenyl)-4-[4-[(2-hydroxyphenyl)-phenylmethyl]piperidin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.29807 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.305346 220.5
[M+Na]+ 492.287288 220.5
[M-H]- 468.290794 227.9
[M+NH4]+ 487.331893 224.9
[M+K]+ 508.261228 213.7
[M+H-H2O]+ 452.295330 208.3
[M+HCOO]- 514.296271 230.7
[M+CH3COO]- 528.311921 236.6
[M+Na-2H]- 490.272736 216.9
[M]+ 469.29752142 215.8
[M]- 469.29861858 215.8
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.