CID 2110927

1049757-49-4

Structural Information

Molecular Formula
C17H30N2O2
SMILES
CCCOC1=C(C=C(C=C1)CNCCCN(C)C)OCC
InChI
InChI=1S/C17H30N2O2/c1-5-12-21-16-9-8-15(13-17(16)20-6-2)14-18-10-7-11-19(3)4/h8-9,13,18H,5-7,10-12,14H2,1-4H3
InChIKey
KLXOXLOTLXAAQZ-UHFFFAOYSA-N
Compound name
N-[(3-ethoxy-4-propoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.23074 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.238016 174.8
[M+Na]+ 317.219958 178.8
[M-H]- 293.223464 178.8
[M+NH4]+ 312.264563 190.6
[M+K]+ 333.193898 177.4
[M+H-H2O]+ 277.228000 166.5
[M+HCOO]- 339.228941 199.6
[M+CH3COO]- 353.244591 215.0
[M+Na-2H]- 315.205406 177.0
[M]+ 294.23019142 180.9
[M]- 294.23128858 180.9
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.