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]+ 383.26930 194.9
[M+Na]+ 405.25124 196.0
[M-H]- 381.25474 202.5
[M+NH4]+ 400.29584 205.2
[M+K]+ 421.22518 191.0
[M+H-H2O]+ 365.25928 184.0
[M+HCOO]- 427.26022 215.1
[M+CH3COO]- 441.27587 226.3
[M+Na-2H]- 403.23669 195.9
[M]+ 382.26147 192.9
[M]- 382.26257 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.