CID 2110935

[(3,4-diethoxyphenyl)methyl][3-(dimethylamino)propyl]amine dihydrochloride

Structural Information

Molecular Formula
C16H28N2O2
SMILES
CCOC1=C(C=C(C=C1)CNCCCN(C)C)OCC
InChI
InChI=1S/C16H28N2O2/c1-5-19-15-9-8-14(12-16(15)20-6-2)13-17-10-7-11-18(3)4/h8-9,12,17H,5-7,10-11,13H2,1-4H3
InChIKey
UBWAWQMRNDULPY-UHFFFAOYSA-N
Compound name
N-[(3,4-diethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.2151 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.22238 170.2
[M+Na]+ 303.20432 174.7
[M-H]- 279.20782 174.4
[M+NH4]+ 298.24892 186.6
[M+K]+ 319.17826 173.5
[M+H-H2O]+ 263.21236 162.1
[M+HCOO]- 325.21330 195.4
[M+CH3COO]- 339.22895 212.1
[M+Na-2H]- 301.18977 173.0
[M]+ 280.21455 176.0
[M]- 280.21565 176.0
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.