CID 5351480

73924-72-8

Structural Information

Molecular Formula
C21H26N2O3
SMILES
C/C=C/1\CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OCCO)O
InChI
InChI=1S/C21H26N2O3/c1-2-14-13-23-8-6-15(14)11-20(23)21(25)17-5-7-22-19-4-3-16(12-18(17)19)26-10-9-24/h2-5,7,12,15,20-21,24-25H,6,8-11,13H2,1H3/b14-2+
InChIKey
MKHIZHXCNKIHEJ-JLZUIIAYSA-N
Compound name
2-[4-[[(5Z)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-yl]oxyethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

354.19434 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20162 182.8
[M+Na]+ 377.18356 184.9
[M-H]- 353.18706 177.3
[M+NH4]+ 372.22816 196.5
[M+K]+ 393.15750 179.5
[M+H-H2O]+ 337.19160 173.7
[M+HCOO]- 399.19254 185.6
[M+CH3COO]- 413.20819 188.1
[M+Na-2H]- 375.16901 189.3
[M]+ 354.19379 183.2
[M]- 354.19489 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

literature stripe

Patent stripe

patents stripe