CID 76786

1,4-cyclohexanebis(methylamine), n-(o-chlorobenzyl)-n'-(cyclohexyl)-, dihydrochloride, (e)-

Structural Information

Molecular Formula
C21H33ClN2
SMILES
C1CCC(CC1)NCC2CCC(CC2)CNCC3=CC=CC=C3Cl
InChI
InChI=1S/C21H33ClN2/c22-21-9-5-4-6-19(21)16-23-14-17-10-12-18(13-11-17)15-24-20-7-2-1-3-8-20/h4-6,9,17-18,20,23-24H,1-3,7-8,10-16H2
InChIKey
MNLPUGKDRYDCQW-UHFFFAOYSA-N
Compound name
N-[[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methyl]cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.23322 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.24050 189.1
[M+Na]+ 371.22244 200.1
[M+NH4]+ 366.26704 198.7
[M+K]+ 387.19638 189.6
[M-H]- 347.22594 197.2
[M+Na-2H]- 369.20789 196.6
[M]+ 348.23267 193.2
[M]- 348.23377 193.2
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.