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 181.6
[M+Na]+ 361.20122 184.3
[M-H]- 337.20472 183.0
[M+NH4]+ 356.24582 200.9
[M+K]+ 377.17516 174.4
[M+H-H2O]+ 321.20926 175.1
[M+HCOO]- 383.21020 192.4
[M+CH3COO]- 397.22585 213.6
[M+Na-2H]- 359.18667 194.7
[M]+ 338.21145 184.3
[M]- 338.21255 184.3
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

No patent data available for this compound.