CID 205013

Pyrrolidine, 1-(2-(9,10-ethanoanthracen-9(10h)-yloxy)ethyl)-, n-oxide, methanesulfonate

Structural Information

Molecular Formula
C22H25NO2
SMILES
C1CC[N+](C1)(CCOC23CCC(C4=CC=CC=C42)C5=CC=CC=C35)[O-]
InChI
InChI=1S/C22H25NO2/c24-23(13-5-6-14-23)15-16-25-22-12-11-17(18-7-1-3-9-20(18)22)19-8-2-4-10-21(19)22/h1-4,7-10,17H,5-6,11-16H2
InChIKey
JSPVWMNUZHMPPW-UHFFFAOYSA-N
Compound name
1-oxido-1-[2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]pyrrolidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.18854 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19582 177.7
[M+Na]+ 358.17776 192.0
[M+NH4]+ 353.22236 192.4
[M+K]+ 374.15170 181.7
[M-H]- 334.18126 182.4
[M+Na-2H]- 356.16321 182.5
[M]+ 335.18799 181.6
[M]- 335.18909 181.6
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.