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]+ 355.23802 185.2
[M+Na]+ 377.21996 186.5
[M-H]- 353.22346 190.5
[M+NH4]+ 372.26456 195.4
[M+K]+ 393.19390 180.3
[M+H-H2O]+ 337.22800 175.6
[M+HCOO]- 399.22894 203.3
[M+CH3COO]- 413.24459 215.9
[M+Na-2H]- 375.20541 186.6
[M]+ 354.23019 179.1
[M]- 354.23129 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