CID 27339

Ammonium, (2-(9,10-ethanoanthracen-9(10h)-yloxy)ethyl)dimethyl(2-hydroxyethyl)-, iodide

Structural Information

Molecular Formula
C22H28NO2
SMILES
C[N+](C)(CCO)CCOC12CCC(C3=CC=CC=C31)C4=CC=CC=C24
InChI
InChI=1S/C22H28NO2/c1-23(2,13-15-24)14-16-25-22-12-11-17(18-7-3-5-9-20(18)22)19-8-4-6-10-21(19)22/h3-10,17,24H,11-16H2,1-2H3/q+1
InChIKey
MUPQEKOHPARGGM-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-dimethyl-[2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.212 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.21928 174.7
[M+Na]+ 361.20122 189.4
[M+NH4]+ 356.24582 188.3
[M+K]+ 377.17516 178.7
[M-H]- 337.20472 179.2
[M+Na-2H]- 359.18667 180.0
[M]+ 338.21145 179.0
[M]- 338.21255 179.0
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.