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 186.3
[M+Na]+ 381.21127 188.9
[M-H]- 357.21477 191.5
[M+NH4]+ 376.25587 197.8
[M+K]+ 397.18521 181.9
[M+H-H2O]+ 341.21931 174.4
[M+HCOO]- 403.22025 204.8
[M+CH3COO]- 417.23590 221.4
[M+Na-2H]- 379.19672 187.0
[M]+ 358.22150 178.9
[M]- 358.22260 178.9
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.