CID 59126

3-(beta-hydroxy-beta-(1-naphthyl)ethylamino)quinuclidine trihydrate

Structural Information

Molecular Formula
C19H24N2O
SMILES
C1CN2CCC1C(C2)NCC(C3=CC4=CC=CC=C4C=C3)O
InChI
InChI=1S/C19H24N2O/c22-19(12-20-18-13-21-9-7-15(18)8-10-21)17-6-5-14-3-1-2-4-16(14)11-17/h1-6,11,15,18-20,22H,7-10,12-13H2
InChIKey
SKQRGXUUAZOFRA-UHFFFAOYSA-N
Compound name
2-(1-azabicyclo[2.2.2]octan-3-ylamino)-1-naphthalen-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.18887 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.196146 162.5
[M+Na]+ 319.178088 163.6
[M-H]- 295.181594 159.5
[M+NH4]+ 314.222693 180.0
[M+K]+ 335.152028 158.6
[M+H-H2O]+ 279.186130 154.2
[M+HCOO]- 341.187071 169.7
[M+CH3COO]- 355.202721 169.5
[M+Na-2H]- 317.163536 172.5
[M]+ 296.18832142 160.2
[M]- 296.18941858 160.2
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.