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]+ 307.201616 178.1
[M+Na]+ 329.183558 180.9
[M-H]- 305.187064 185.0
[M+NH4]+ 324.228163 191.7
[M+K]+ 345.157498 182.8
[M+H-H2O]+ 289.191600 169.5
[M+HCOO]- 351.192541 197.8
[M+CH3COO]- 365.208191 217.2
[M+Na-2H]- 327.169006 181.9
[M]+ 306.19379142 182.1
[M]- 306.19488858 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.