CID 102310

1,4-cyclohexanebis(methylamine), n,n'-bis(2-hydroxybenzyl)-, diacetate

Structural Information

Molecular Formula
C22H30N2O2
SMILES
C1CC(CCC1CNCC2=CC=CC=C2O)CNCC3=CC=CC=C3O
InChI
InChI=1S/C22H30N2O2/c25-21-7-3-1-5-19(21)15-23-13-17-9-11-18(12-10-17)14-24-16-20-6-2-4-8-22(20)26/h1-8,17-18,23-26H,9-16H2
InChIKey
BMIXCNTZBPGCCO-UHFFFAOYSA-N
Compound name
2-[[[4-[[(2-hydroxyphenyl)methylamino]methyl]cyclohexyl]methylamino]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

354.23074 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.238016 185.2
[M+Na]+ 377.219958 186.5
[M-H]- 353.223464 190.5
[M+NH4]+ 372.264563 195.4
[M+K]+ 393.193898 180.3
[M+H-H2O]+ 337.228000 175.6
[M+HCOO]- 399.228941 203.3
[M+CH3COO]- 413.244591 215.9
[M+Na-2H]- 375.205406 186.6
[M]+ 354.23019142 179.1
[M]- 354.23128858 179.1
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