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

522
Patents

296.18887 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.19615 168.3
[M+Na]+ 319.17809 170.9
[M-H]- 295.18159 164.2
[M+NH4]+ 314.22269 184.9
[M+K]+ 335.15203 165.6
[M+H-H2O]+ 279.18613 159.0
[M+HCOO]- 341.18707 172.9
[M+CH3COO]- 355.20272 175.0
[M+Na-2H]- 317.16354 176.3
[M]+ 296.18832 167.2
[M]- 296.18942 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.