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]+ 363.24308 186.3
[M+Na]+ 385.22502 187.6
[M-H]- 361.22852 186.7
[M+NH4]+ 380.26962 199.8
[M+K]+ 401.19896 181.3
[M+H-H2O]+ 345.23306 173.4
[M+HCOO]- 407.23400 191.7
[M+CH3COO]- 421.24965 192.1
[M+Na-2H]- 383.21047 191.4
[M]+ 362.23525 184.8
[M]- 362.23635 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.