CID 21161

N,n'-bis(1-indanyl)-1,4-bicyclo(2.2.2)octanebis(methylamine) dihydrochloride

Structural Information

Molecular Formula
C28H36N2
SMILES
C1CC2=CC=CC=C2C1NCC34CCC(CC3)(CC4)CNC5CCC6=CC=CC=C56
InChI
InChI=1S/C28H36N2/c1-3-7-23-21(5-1)9-11-25(23)29-19-27-13-16-28(17-14-27,18-15-27)20-30-26-12-10-22-6-2-4-8-24(22)26/h1-8,25-26,29-30H,9-20H2
InChIKey
SGCDPIKREMPHMO-UHFFFAOYSA-N
Compound name
N-[[4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-1-bicyclo[2.2.2]octanyl]methyl]-2,3-dihydro-1H-inden-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

400.28784 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.29512 181.9
[M+Na]+ 423.27706 182.2
[M-H]- 399.28056 184.5
[M+NH4]+ 418.32166 204.2
[M+K]+ 439.25100 173.4
[M+H-H2O]+ 383.28510 171.1
[M+HCOO]- 445.28604 190.3
[M+CH3COO]- 459.30169 187.9
[M+Na-2H]- 421.26251 186.7
[M]+ 400.28729 177.7
[M]- 400.28839 177.7
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

patents stripe