CID 102062

1,4-cyclohexanebis(methylamine), n,n'-bis(4-dimethylaminobenzyl)-, tetrahydrochloride

Structural Information

Molecular Formula
C26H40N4
SMILES
CN(C)C1=CC=C(C=C1)CNCC2CCC(CC2)CNCC3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C26H40N4/c1-29(2)25-13-9-23(10-14-25)19-27-17-21-5-7-22(8-6-21)18-28-20-24-11-15-26(16-12-24)30(3)4/h9-16,21-22,27-28H,5-8,17-20H2,1-4H3
InChIKey
PBKGXTOIDUAAQS-UHFFFAOYSA-N
Compound name
4-[[[4-[[[4-(dimethylamino)phenyl]methylamino]methyl]cyclohexyl]methylamino]methyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.3253 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.33258 204.6
[M+Na]+ 431.31452 203.6
[M-H]- 407.31802 214.4
[M+NH4]+ 426.35912 214.5
[M+K]+ 447.28846 200.0
[M+H-H2O]+ 391.32256 192.8
[M+HCOO]- 453.32350 226.7
[M+CH3COO]- 467.33915 244.7
[M+Na-2H]- 429.29997 204.0
[M]+ 408.32475 201.7
[M]- 408.32585 201.7
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.