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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.22710 188.9
[M+Na]+ 374.20904 194.0
[M-H]- 350.21254 193.9
[M+NH4]+ 369.25364 202.3
[M+K]+ 390.18298 189.6
[M+H-H2O]+ 334.21708 179.3
[M+HCOO]- 396.21802 198.7
[M+CH3COO]- 410.23367 197.1
[M+Na-2H]- 372.19449 193.9
[M]+ 351.21927 185.6
[M]- 351.22037 185.6
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