CID 46291

1,6-bis(p-methylaminomethylphenoxy)hexane dihydrochloride

Structural Information

Molecular Formula
C22H32N2O2
SMILES
CNCC1=CC=C(C=C1)OCCCCCCOC2=CC=C(C=C2)CNC
InChI
InChI=1S/C22H32N2O2/c1-23-17-19-7-11-21(12-8-19)25-15-5-3-4-6-16-26-22-13-9-20(10-14-22)18-24-2/h7-14,23-24H,3-6,15-18H2,1-2H3
InChIKey
QVNDBVGYHXZTNT-UHFFFAOYSA-N
Compound name
N-methyl-1-[4-[6-[4-(methylaminomethyl)phenoxy]hexoxy]phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.24637 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.25365 189.2
[M+Na]+ 379.23559 192.1
[M-H]- 355.23909 194.4
[M+NH4]+ 374.28019 201.2
[M+K]+ 395.20953 187.5
[M+H-H2O]+ 339.24363 179.3
[M+HCOO]- 401.24457 213.2
[M+CH3COO]- 415.26022 222.2
[M+Na-2H]- 377.22104 192.3
[M]+ 356.24582 193.2
[M]- 356.24692 193.2
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.