CID 585846

Cinchonanium, 9-hydroxy-1-(phenylmethyl)-, chloride, (8.alpha.,9r)-

Structural Information

Molecular Formula
C26H29N2O
SMILES
C=CC1CN2CCC1CC2C(C3=CC=[N+](C4=CC=CC=C34)CC5=CC=CC=C5)O
InChI
InChI=1S/C26H29N2O/c1-2-20-18-28-14-12-21(20)16-25(28)26(29)23-13-15-27(17-19-8-4-3-5-9-19)24-11-7-6-10-22(23)24/h2-11,13,15,20-21,25-26,29H,1,12,14,16-18H2/q+1
InChIKey
QANGUEGDIZBQNM-UHFFFAOYSA-N
Compound name
(1-benzylquinolin-1-ium-4-yl)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.228 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.23528 188.9
[M+Na]+ 408.21722 205.5
[M+NH4]+ 403.26182 200.4
[M+K]+ 424.19116 195.4
[M-H]- 384.22072 193.7
[M+Na-2H]- 406.20267 191.7
[M]+ 385.22745 193.2
[M]- 385.22855 193.2
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.