CID 202839

9,10-dihydro-9-(3-(4-methyl-1-piperazinyl)propoxy)-9,10-ethanoanthracene dihydrochloride

Structural Information

Molecular Formula
C24H30N2O
SMILES
CN1CCN(CC1)CCCOC2CC3C4=CC=CC=C4C2C5=CC=CC=C35
InChI
InChI=1S/C24H30N2O/c1-25-12-14-26(15-13-25)11-6-16-27-23-17-22-18-7-2-4-9-20(18)24(23)21-10-5-3-8-19(21)22/h2-5,7-10,22-24H,6,11-17H2,1H3
InChIKey
XLSVQALALVCPHK-UHFFFAOYSA-N
Compound name
1-methyl-4-[3-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)propyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.2358 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.243076 186.3
[M+Na]+ 385.225018 187.6
[M-H]- 361.228524 186.7
[M+NH4]+ 380.269623 199.8
[M+K]+ 401.198958 181.3
[M+H-H2O]+ 345.233060 173.4
[M+HCOO]- 407.234001 191.7
[M+CH3COO]- 421.249651 192.1
[M+Na-2H]- 383.210466 191.4
[M]+ 362.23525142 184.8
[M]- 362.23634858 184.8
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.