CID 119651

1,4-cyclohexanebis(methylamine), n,n'-bis(2-fluorobenzyl)-, dihydrochloride

Structural Information

Molecular Formula
C22H28F2N2
SMILES
C1CC(CCC1CNCC2=CC=CC=C2F)CNCC3=CC=CC=C3F
InChI
InChI=1S/C22H28F2N2/c23-21-7-3-1-5-19(21)15-25-13-17-9-11-18(12-10-17)14-26-16-20-6-2-4-8-22(20)24/h1-8,17-18,25-26H,9-16H2
InChIKey
FMXBRMOLRFKEFC-UHFFFAOYSA-N
Compound name
N-[(2-fluorophenyl)methyl]-1-[4-[[(2-fluorophenyl)methylamino]methyl]cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.22205 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.22933 190.0
[M+Na]+ 381.21127 200.7
[M+NH4]+ 376.25587 197.3
[M+K]+ 397.18521 190.8
[M-H]- 357.21477 195.1
[M+Na-2H]- 379.19672 197.6
[M]+ 358.22150 192.8
[M]- 358.22260 192.8
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

No patent data available for this compound.