CID 202824

11-((2-dimethylaminoethoxy)methyl)-9,10-dihydro-9,10-ethanoanthracene hydrochloride

Structural Information

Molecular Formula
C21H25NO
SMILES
CN(C)CCOCC1CC2C3=CC=CC=C3C1C4=CC=CC=C24
InChI
InChI=1S/C21H25NO/c1-22(2)11-12-23-14-15-13-20-16-7-3-5-9-18(16)21(15)19-10-6-4-8-17(19)20/h3-10,15,20-21H,11-14H2,1-2H3
InChIKey
FMJIHOCWQATAFD-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1936 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20088 172.1
[M+Na]+ 330.18282 175.1
[M-H]- 306.18632 174.7
[M+NH4]+ 325.22742 191.6
[M+K]+ 346.15676 171.1
[M+H-H2O]+ 290.19086 162.8
[M+HCOO]- 352.19180 185.7
[M+CH3COO]- 366.20745 181.2
[M+Na-2H]- 328.16827 180.2
[M]+ 307.19305 175.9
[M]- 307.19415 175.9
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.