CID 101711

(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol

Structural Information

Molecular Formula
C19H24N2O
SMILES
CCC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O
InChI
InChI=1S/C19H24N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h3-7,9,13-14,18-19,22H,2,8,10-12H2,1H3
InChIKey
WFJNHVWTKZUUTR-UHFFFAOYSA-N
Compound name
(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

523
Patents

296.18887 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.196146 168.3
[M+Na]+ 319.178088 170.9
[M-H]- 295.181594 164.2
[M+NH4]+ 314.222693 184.9
[M+K]+ 335.152028 165.6
[M+H-H2O]+ 279.186130 159.0
[M+HCOO]- 341.187071 172.9
[M+CH3COO]- 355.202721 175.0
[M+Na-2H]- 317.163536 176.3
[M]+ 296.18832142 167.2
[M]- 296.18941858 167.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe