CID 5361999

1-azabicyclo(2.2.2)octane-2-methanol, 5-ethylidene-alpha-(6-(2-hydroxyethoxy)-4-quinolyl)-, dihydrochloride

Structural Information

Molecular Formula
C21H26N2O3
SMILES
C/C(=C/1\CN2CCC1CC2CO)/C3=C4C=C(C=CC4=NC=C3)OCCO
InChI
InChI=1S/C21H26N2O3/c1-14(20-12-23-7-5-15(20)10-16(23)13-25)18-4-6-22-21-3-2-17(11-19(18)21)26-9-8-24/h2-4,6,11,15-16,24-25H,5,7-10,12-13H2,1H3/b20-14-
InChIKey
DBWMYCMTFGCTNX-ZHZULCJRSA-N
Compound name
2-[4-[(1E)-1-[6-(hydroxymethyl)-1-azabicyclo[2.2.2]octan-3-ylidene]ethyl]quinolin-6-yl]oxyethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.19434 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.201616 182.8
[M+Na]+ 377.183558 184.9
[M-H]- 353.187064 177.3
[M+NH4]+ 372.228163 196.5
[M+K]+ 393.157498 179.5
[M+H-H2O]+ 337.191600 173.7
[M+HCOO]- 399.192541 185.6
[M+CH3COO]- 413.208191 188.1
[M+Na-2H]- 375.169006 189.3
[M]+ 354.19379142 183.2
[M]- 354.19488858 183.2
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.