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 191.2
[M+Na]+ 399.24068 191.7
[M-H]- 375.24418 191.4
[M+NH4]+ 394.28528 204.0
[M+K]+ 415.21462 185.6
[M+H-H2O]+ 359.24872 178.4
[M+HCOO]- 421.24966 195.2
[M+CH3COO]- 435.26531 196.3
[M+Na-2H]- 397.22613 194.7
[M]+ 376.25091 189.4
[M]- 376.25201 189.4
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.