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 177.6
[M+Na]+ 344.19848 179.7
[M-H]- 320.20198 179.9
[M+NH4]+ 339.24308 196.4
[M+K]+ 360.17242 176.0
[M+H-H2O]+ 304.20652 168.3
[M+HCOO]- 366.20746 189.7
[M+CH3COO]- 380.22311 186.0
[M+Na-2H]- 342.18393 183.9
[M]+ 321.20871 181.1
[M]- 321.20981 181.1
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.