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 172.7
[M+Na]+ 315.16790 175.8
[M-H]- 291.17140 178.4
[M+NH4]+ 310.21250 186.2
[M+K]+ 331.14184 176.5
[M+H-H2O]+ 275.17594 164.4
[M+HCOO]- 337.17688 192.2
[M+CH3COO]- 351.19253 210.8
[M+Na-2H]- 313.15335 177.9
[M]+ 292.17813 175.1
[M]- 292.17923 175.1
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.