CID 3053253

4-piperidinol, 4-(t-butyl)-1-((9-xanthenyl)methyl)-, hydrochloride, (+-)-

Structural Information

Molecular Formula

C₂₃H₂₉NO₂

SMILES

CC(C)(C)C1(CCN(CC1)CC2C3=CC=CC=C3OC4=CC=CC=C24)O

InChI

InChI=1S/C23H29NO2/c1-22(2,3)23(25)12-14-24(15-13-23)16-19-17-8-4-6-10-20(17)26-21-11-7-5-9-18(19)21/h4-11,19,25H,12-16H2,1-3H3

InChIKey

KXYGPLYFRIMYOX-UHFFFAOYSA-N

Compound name

4-tert-butyl-1-(9H-xanthen-9-ylmethyl)piperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 351.21982 Da
Monoisotopic Mass: 4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	352.227096	188.9
[M+Na]+	374.209038	194.0
[M-H]-	350.212544	193.9
[M+NH4]+	369.253643	202.3
[M+K]+	390.182978	189.6
[M+H-H2O]+	334.217080	179.3
[M+HCOO]-	396.218021	198.7
[M+CH3COO]-	410.233671	197.1
[M+Na-2H]-	372.194486	193.9
[M]+	351.21927142	185.6
[M]-	351.22036858	185.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe