CID 52516

73804-27-0

Structural Information

Molecular Formula
C20H25N2O
SMILES
C[N+]12CCC(CC1[C@@H](C3=CC=NC4=CC=CC=C34)O)C(C2)C=C
InChI
InChI=1S/C20H25N2O/c1-3-14-13-22(2)11-9-15(14)12-19(22)20(23)17-8-10-21-18-7-5-4-6-16(17)18/h3-8,10,14-15,19-20,23H,1,9,11-13H2,2H3/q+1/t14?,15?,19?,20-,22?/m1/s1
InChIKey
IWPKILOVPZQFBF-ATOXRLKSSA-N
Compound name
(R)-(5-ethenyl-1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

309.1967 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.20398 172.0
[M+Na]+ 332.18592 175.2
[M-H]- 308.18942 168.4
[M+NH4]+ 327.23052 189.9
[M+K]+ 348.15986 163.6
[M+H-H2O]+ 292.19396 164.6
[M+HCOO]- 354.19490 175.9
[M+CH3COO]- 368.21055 178.5
[M+Na-2H]- 330.17137 182.4
[M]+ 309.19615 169.3
[M]- 309.19725 169.3
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