CID 102126

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

Structural Information

Molecular Formula
C22H26Cl4N2
SMILES
C1CC(CCC1CNCC2=C(C=C(C=C2)Cl)Cl)CNCC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C22H26Cl4N2/c23-19-7-5-17(21(25)9-19)13-27-11-15-1-2-16(4-3-15)12-28-14-18-6-8-20(24)10-22(18)26/h5-10,15-16,27-28H,1-4,11-14H2
InChIKey
UXZPGICYDPMXNO-UHFFFAOYSA-N
Compound name
N-[(2,4-dichlorophenyl)methyl]-1-[4-[[(2,4-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

458.08502 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.09230 208.4
[M+Na]+ 481.07424 213.5
[M-H]- 457.07774 212.3
[M+NH4]+ 476.11884 217.8
[M+K]+ 497.04818 204.6
[M+H-H2O]+ 441.08228 201.0
[M+HCOO]- 503.08322 208.3
[M+CH3COO]- 517.09887 213.9
[M+Na-2H]- 479.05969 204.7
[M]+ 458.08447 207.9
[M]- 458.08557 207.9
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

patents stripe