CID 202841

9,10-dihydro-9-(2-methyl-3-(4-methylpiperazinyl)propoxy)-9,10-ethanoanthracene 2 hcl

Structural Information

Molecular Formula
C25H32N2O
SMILES
CC(CN1CCN(CC1)C)COC2CC3C4=CC=CC=C4C2C5=CC=CC=C35
InChI
InChI=1S/C25H32N2O/c1-18(16-27-13-11-26(2)12-14-27)17-28-24-15-23-19-7-3-5-9-21(19)25(24)22-10-6-4-8-20(22)23/h3-10,18,23-25H,11-17H2,1-2H3
InChIKey
HMFQOCGDQXHOPV-UHFFFAOYSA-N
Compound name
1-methyl-4-[2-methyl-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

376.25146 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.25874 191.1
[M+Na]+ 399.24068 205.0
[M+NH4]+ 394.28528 201.8
[M+K]+ 415.21462 194.7
[M-H]- 375.24418 195.0
[M+Na-2H]- 397.22613 192.9
[M]+ 376.25091 194.4
[M]- 376.25201 194.4
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.