CID 202737

2-((6-propyl-1,4-benzodioxan-5-yl)oxy)triethylamine hydrochloride

Structural Information

Molecular Formula
C17H27NO3
SMILES
CCCC1=C(C2=C(C=C1)OCCO2)OCCN(CC)CC
InChI
InChI=1S/C17H27NO3/c1-4-7-14-8-9-15-17(21-13-12-19-15)16(14)20-11-10-18(5-2)6-3/h8-9H,4-7,10-13H2,1-3H3
InChIKey
PLUROYBERJJDBB-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[(6-propyl-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1991 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.20638 171.9
[M+Na]+ 316.18832 183.4
[M+NH4]+ 311.23292 179.7
[M+K]+ 332.16226 176.6
[M-H]- 292.19182 177.6
[M+Na-2H]- 314.17377 175.3
[M]+ 293.19855 175.1
[M]- 293.19965 175.1
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

No patent data available for this compound.