CID 25938

Ammonium, (2-(9,10-dihydro-9,10-ethanoanthracen-11-ylmethoxy)-1-methylethyl)trimethyl-, iodide

Structural Information

Molecular Formula
C23H30NO
SMILES
CC(COCC1CC2C3=CC=CC=C3C1C4=CC=CC=C24)[N+](C)(C)C
InChI
InChI=1S/C23H30NO/c1-16(24(2,3)4)14-25-15-17-13-22-18-9-5-7-11-20(18)23(17)21-12-8-6-10-19(21)22/h5-12,16-17,22-23H,13-15H2,1-4H3/q+1
InChIKey
RYWYVUAEQBAQCH-UHFFFAOYSA-N
Compound name
trimethyl-[1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)propan-2-yl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.23273 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.24001 183.1
[M+Na]+ 359.22195 185.1
[M-H]- 335.22545 185.7
[M+NH4]+ 354.26655 201.4
[M+K]+ 375.19589 175.8
[M+H-H2O]+ 319.22999 176.9
[M+HCOO]- 381.23093 193.8
[M+CH3COO]- 395.24658 219.4
[M+Na-2H]- 357.20740 193.0
[M]+ 336.23218 185.6
[M]- 336.23328 185.6
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.