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]+ 297.19615 162.5
[M+Na]+ 319.17809 163.6
[M-H]- 295.18159 159.5
[M+NH4]+ 314.22269 180.0
[M+K]+ 335.15203 158.6
[M+H-H2O]+ 279.18613 154.2
[M+HCOO]- 341.18707 169.7
[M+CH3COO]- 355.20272 169.5
[M+Na-2H]- 317.16354 172.5
[M]+ 296.18832 160.2
[M]- 296.18942 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.