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

1
Patents

372.25656 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.26384 187.9
[M+Na]+ 395.24578 189.9
[M-H]- 371.24928 197.6
[M+NH4]+ 390.29038 204.1
[M+K]+ 411.21972 182.4
[M+H-H2O]+ 355.25382 179.0
[M+HCOO]- 417.25476 206.9
[M+CH3COO]- 431.27041 196.4
[M+Na-2H]- 393.23123 187.2
[M]+ 372.25601 181.8
[M]- 372.25711 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