CID 202917

11-(1-(2-(dimethylamino)ethoxy)ethyl)-9,10-dihydro-9,10-ethanoanthracene maleate

Structural Information

Molecular Formula
C22H27NO
SMILES
CC(C1CC2C3=CC=CC=C3C1C4=CC=CC=C24)OCCN(C)C
InChI
InChI=1S/C22H27NO/c1-15(24-13-12-23(2)3)20-14-21-16-8-4-6-10-18(16)22(20)19-11-7-5-9-17(19)21/h4-11,15,20-22H,12-14H2,1-3H3
InChIKey
ZBGWNZFOVRRGFT-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.20926 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.21654 173.4
[M+Na]+ 344.19848 186.8
[M+NH4]+ 339.24308 185.1
[M+K]+ 360.17242 177.2
[M-H]- 320.20198 177.3
[M+Na-2H]- 342.18393 176.0
[M]+ 321.20871 176.7
[M]- 321.20981 176.7
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.