CID 203930

9,10-dihydro-9-(2-piperidinoethoxy)-9,10-ethanoanthracene methyliodide

Structural Information

Molecular Formula
C24H30NO
SMILES
C[N+]1(CCCCC1)CCOC23CCC(C4=CC=CC=C42)C5=CC=CC=C35
InChI
InChI=1S/C24H30NO/c1-25(15-7-2-8-16-25)17-18-26-24-14-13-19(20-9-3-5-11-22(20)24)21-10-4-6-12-23(21)24/h3-6,9-12,19H,2,7-8,13-18H2,1H3/q+1
InChIKey
QBNYUJHMQVRVCN-UHFFFAOYSA-N
Compound name
1-methyl-1-[2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.23273 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.24001 183.6
[M+Na]+ 371.22195 185.3
[M-H]- 347.22545 185.7
[M+NH4]+ 366.26655 202.3
[M+K]+ 387.19589 173.5
[M+H-H2O]+ 331.22999 172.3
[M+HCOO]- 393.23093 189.9
[M+CH3COO]- 407.24658 189.9
[M+Na-2H]- 369.20740 193.1
[M]+ 348.23218 180.0
[M]- 348.23328 180.0
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.