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]+ 294.206376 173.8
[M+Na]+ 316.188318 178.2
[M-H]- 292.191824 179.7
[M+NH4]+ 311.232923 188.1
[M+K]+ 332.162258 178.9
[M+H-H2O]+ 276.196360 165.8
[M+HCOO]- 338.197301 192.8
[M+CH3COO]- 352.212951 210.4
[M+Na-2H]- 314.173766 178.6
[M]+ 293.19855142 179.1
[M]- 293.19964858 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.