CID 70891

1,4-cyclohexanebis(methylamine), n,n'-dibenzyl-n,n'-dimethyl-, dihydrochloride, (e)-

Structural Information

Molecular Formula
C24H34N2
SMILES
CN(CC1CCC(CC1)CN(C)CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C24H34N2/c1-25(17-21-9-5-3-6-10-21)19-23-13-15-24(16-14-23)20-26(2)18-22-11-7-4-8-12-22/h3-12,23-24H,13-20H2,1-2H3
InChIKey
AHCFPJDEYFQOBB-UHFFFAOYSA-N
Compound name
N-benzyl-1-[4-[[benzyl(methyl)amino]methyl]cyclohexyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.2722 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.27948 189.8
[M+Na]+ 373.26142 189.5
[M-H]- 349.26492 199.4
[M+NH4]+ 368.30602 202.2
[M+K]+ 389.23536 185.8
[M+H-H2O]+ 333.26946 178.6
[M+HCOO]- 395.27040 210.6
[M+CH3COO]- 409.28605 226.4
[M+Na-2H]- 371.24687 190.4
[M]+ 350.27165 186.6
[M]- 350.27275 186.6
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