CID 3064422

102128-75-6

Structural Information

Molecular Formula
C16H24N2O3
SMILES
CCN(CC)C(=O)CCNCC1COC2=CC=CC=C2O1
InChI
InChI=1S/C16H24N2O3/c1-3-18(4-2)16(19)9-10-17-11-13-12-20-14-7-5-6-8-15(14)21-13/h5-8,13,17H,3-4,9-12H2,1-2H3
InChIKey
TWGVHOKJAGUCIB-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N,N-diethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.17868 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.18596 171.8
[M+Na]+ 315.16790 181.4
[M+NH4]+ 310.21250 178.8
[M+K]+ 331.14184 175.8
[M-H]- 291.17140 177.2
[M+Na-2H]- 313.15335 174.8
[M]+ 292.17813 174.5
[M]- 292.17923 174.5
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.