CID 3074197

Quinuclidinium, 3-hydroxy-1-(2-((4-methyl-2-oxo-2h-1-benzopyran-7-yl)oxy)ethyl)-, bromide

Structural Information

Molecular Formula
C19H24NO4
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OCC[N+]34CCC(CC3)C(C4)O
InChI
InChI=1S/C19H24NO4/c1-13-10-19(22)24-18-11-15(2-3-16(13)18)23-9-8-20-6-4-14(5-7-20)17(21)12-20/h2-3,10-11,14,17,21H,4-9,12H2,1H3/q+1
InChIKey
SNZJHJFLWQFGBP-UHFFFAOYSA-N
Compound name
7-[2-(3-hydroxy-1-azoniabicyclo[2.2.2]octan-1-yl)ethoxy]-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.17053 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.17781 171.3
[M+Na]+ 353.15975 186.2
[M+NH4]+ 348.20435 183.6
[M+K]+ 369.13369 176.9
[M-H]- 329.16325 174.5
[M+Na-2H]- 351.14520 172.4
[M]+ 330.16998 175.0
[M]- 330.17108 175.0
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

No patent data available for this compound.