CID 27308

(2-(9,10-ethanoanthracen-9(10h)-yloxy)ethyl)trimethylammonium iodide

Structural Information

Molecular Formula
C21H26NO
SMILES
C[N+](C)(C)CCOC12CCC(C3=CC=CC=C31)C4=CC=CC=C24
InChI
InChI=1S/C21H26NO/c1-22(2,3)14-15-23-21-13-12-16(17-8-4-6-10-19(17)21)18-9-5-7-11-20(18)21/h4-11,16H,12-15H2,1-3H3/q+1
InChIKey
BAKPLKDDHJPEKS-UHFFFAOYSA-N
Compound name
trimethyl-[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

308.20145 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.20873 173.9
[M+Na]+ 331.19067 177.6
[M-H]- 307.19417 177.0
[M+NH4]+ 326.23527 195.2
[M+K]+ 347.16461 168.1
[M+H-H2O]+ 291.19871 167.2
[M+HCOO]- 353.19965 186.5
[M+CH3COO]- 367.21530 211.3
[M+Na-2H]- 329.17612 187.5
[M]+ 308.20090 176.5
[M]- 308.20200 176.5
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.