CID 3064427

102128-80-3

Structural Information

Molecular Formula
C17H26N2O3
SMILES
CCN(CC)C(=O)CCN(C)CC1COC2=CC=CC=C2O1
InChI
InChI=1S/C17H26N2O3/c1-4-19(5-2)17(20)10-11-18(3)12-14-13-21-15-8-6-7-9-16(15)22-14/h6-9,14H,4-5,10-13H2,1-3H3
InChIKey
UVQBOZDNUNCQTD-UHFFFAOYSA-N
Compound name
3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N,N-diethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.19434 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.20162 178.1
[M+Na]+ 329.18356 180.9
[M-H]- 305.18706 185.0
[M+NH4]+ 324.22816 191.7
[M+K]+ 345.15750 182.8
[M+H-H2O]+ 289.19160 169.5
[M+HCOO]- 351.19254 197.8
[M+CH3COO]- 365.20819 217.2
[M+Na-2H]- 327.16901 181.9
[M]+ 306.19379 182.1
[M]- 306.19489 182.1
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.