CID 102128

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

Structural Information

Molecular Formula
C24H34N2O2
SMILES
COC1=CC=CC=C1CNCC2CCC(CC2)CNCC3=CC=CC=C3OC
InChI
InChI=1S/C24H34N2O2/c1-27-23-9-5-3-7-21(23)17-25-15-19-11-13-20(14-12-19)16-26-18-22-8-4-6-10-24(22)28-2/h3-10,19-20,25-26H,11-18H2,1-2H3
InChIKey
XECSYNLBQWRQPF-UHFFFAOYSA-N
Compound name
N-[(2-methoxyphenyl)methyl]-1-[4-[[(2-methoxyphenyl)methylamino]methyl]cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.26202 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.269296 194.9
[M+Na]+ 405.251238 196.0
[M-H]- 381.254744 202.5
[M+NH4]+ 400.295843 205.2
[M+K]+ 421.225178 191.0
[M+H-H2O]+ 365.259280 184.0
[M+HCOO]- 427.260221 215.1
[M+CH3COO]- 441.275871 226.3
[M+Na-2H]- 403.236686 195.9
[M]+ 382.26147142 192.9
[M]- 382.26256858 192.9
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

No patent data available for this compound.