CID 102749

N,n'-bis(1-indanyl)-1,4-cyclohexenebis(methylamine) dihydrochloride

Structural Information

Molecular Formula
C26H32N2
SMILES
C1CC(=CCC1CNC2CCC3=CC=CC=C23)CNC4CCC5=CC=CC=C45
InChI
InChI=1S/C26H32N2/c1-3-7-23-21(5-1)13-15-25(23)27-17-19-9-11-20(12-10-19)18-28-26-16-14-22-6-2-4-8-24(22)26/h1-9,20,25-28H,10-18H2
InChIKey
AZNGBNNAXLBRSA-UHFFFAOYSA-N
Compound name
N-[[4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]cyclohex-3-en-1-yl]methyl]-2,3-dihydro-1H-inden-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

372.25656 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.263836 187.9
[M+Na]+ 395.245778 189.9
[M-H]- 371.249284 197.6
[M+NH4]+ 390.290383 204.1
[M+K]+ 411.219718 182.4
[M+H-H2O]+ 355.253820 179.0
[M+HCOO]- 417.254761 206.9
[M+CH3COO]- 431.270411 196.4
[M+Na-2H]- 393.231226 187.2
[M]+ 372.25601142 181.8
[M]- 372.25710858 181.8
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

patents stripe