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 173.8
[M+Na]+ 316.18832 178.2
[M-H]- 292.19182 179.7
[M+NH4]+ 311.23292 188.1
[M+K]+ 332.16226 178.9
[M+H-H2O]+ 276.19636 165.8
[M+HCOO]- 338.19730 192.8
[M+CH3COO]- 352.21295 210.4
[M+Na-2H]- 314.17377 178.6
[M]+ 293.19855 179.1
[M]- 293.19965 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

No patent data available for this compound.