CID 202836

9,10-dihydro-9-(2-dimethylaminopropoxy)-9,10-ethanoanthracene hydrochloride

Structural Information

Molecular Formula
C21H25NO
SMILES
CC(COC1CC2C3=CC=CC=C3C1C4=CC=CC=C24)N(C)C
InChI
InChI=1S/C21H25NO/c1-14(22(2)3)13-23-20-12-19-15-8-4-6-10-17(15)21(20)18-11-7-5-9-16(18)19/h4-11,14,19-21H,12-13H2,1-3H3
InChIKey
WLXZJQCJPZVVJT-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1936 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.200876 172.8
[M+Na]+ 330.182818 175.4
[M-H]- 306.186324 175.4
[M+NH4]+ 325.227423 192.2
[M+K]+ 346.156758 172.0
[M+H-H2O]+ 290.190860 163.8
[M+HCOO]- 352.191801 185.3
[M+CH3COO]- 366.207451 181.7
[M+Na-2H]- 328.168266 179.8
[M]+ 307.19305142 176.0
[M]- 307.19414858 176.0
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.