CID 5351480

Brn 0047977

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

0
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 194.1
[M+NH4]+ 372.22816 191.4
[M+K]+ 393.15750 186.2
[M-H]- 353.18706 181.7
[M+Na-2H]- 375.16901 180.4
[M]+ 354.19379 184.0
[M]- 354.19489 184.0
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