CID 102067

1,4-cyclohexanebis(methylamine), n,n'-bis(2,3-dimethoxybenzyl)-, dihydrochloride

Structural Information

Molecular Formula
C26H38N2O4
SMILES
COC1=CC=CC(=C1OC)CNCC2CCC(CC2)CNCC3=C(C(=CC=C3)OC)OC
InChI
InChI=1S/C26H38N2O4/c1-29-23-9-5-7-21(25(23)31-3)17-27-15-19-11-13-20(14-12-19)16-28-18-22-8-6-10-24(30-2)26(22)32-4/h5-10,19-20,27-28H,11-18H2,1-4H3
InChIKey
QLGIBXNLRJMJCK-UHFFFAOYSA-N
Compound name
N-[(2,3-dimethoxyphenyl)methyl]-1-[4-[[(2,3-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.28317 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.29045 210.3
[M+Na]+ 465.27239 211.9
[M-H]- 441.27589 218.3
[M+NH4]+ 460.31699 218.6
[M+K]+ 481.24633 208.3
[M+H-H2O]+ 425.28043 198.9
[M+HCOO]- 487.28137 230.1
[M+CH3COO]- 501.29702 239.0
[M+Na-2H]- 463.25784 209.1
[M]+ 442.28262 212.7
[M]- 442.28372 212.7
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.