CID 15345848

4-((1s)-(5-ethylquinuclidin-2-yl)(hydroxy)methyl)quinolin-6-ol

Structural Information

Molecular Formula
C19H24N2O2
SMILES
CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)O)O
InChI
InChI=1S/C19H24N2O2/c1-2-12-11-21-8-6-13(12)9-18(21)19(23)15-5-7-20-17-4-3-14(22)10-16(15)17/h3-5,7,10,12-13,18-19,22-23H,2,6,8-9,11H2,1H3
InChIKey
RASAUPYEBCYZRS-UHFFFAOYSA-N
Compound name
4-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]quinolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

312.18378 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19106 172.5
[M+Na]+ 335.17300 175.4
[M-H]- 311.17650 167.5
[M+NH4]+ 330.21760 188.1
[M+K]+ 351.14694 170.3
[M+H-H2O]+ 295.18104 163.9
[M+HCOO]- 357.18198 175.7
[M+CH3COO]- 371.19763 178.8
[M+Na-2H]- 333.15845 179.8
[M]+ 312.18323 171.7
[M]- 312.18433 171.7
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