CID 3064424

102128-77-8

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CCNC(=O)CCNCC1COC2=CC=CC=C2O1
InChI
InChI=1S/C14H20N2O3/c1-2-16-14(17)7-8-15-9-11-10-18-12-5-3-4-6-13(12)19-11/h3-6,11,15H,2,7-10H2,1H3,(H,16,17)
InChIKey
SXSMVGOQJHWONB-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-ethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1474 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 162.3
[M+Na]+ 287.13662 166.2
[M-H]- 263.14012 166.9
[M+NH4]+ 282.18122 176.3
[M+K]+ 303.11056 165.9
[M+H-H2O]+ 247.14466 154.5
[M+HCOO]- 309.14560 182.1
[M+CH3COO]- 323.16125 201.5
[M+Na-2H]- 285.12207 169.4
[M]+ 264.14685 162.9
[M]- 264.14795 162.9
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.