CID 3064429

102128-82-5

Structural Information

Molecular Formula
C15H22N2O3
SMILES
CCNC(=O)CCN(C)CC1COC2=CC=CC=C2O1
InChI
InChI=1S/C15H22N2O3/c1-3-16-15(18)8-9-17(2)10-12-11-19-13-6-4-5-7-14(13)20-12/h4-7,12H,3,8-11H2,1-2H3,(H,16,18)
InChIKey
GCCRBLAXHZNXMG-UHFFFAOYSA-N
Compound name
3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N-ethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.16306 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.170336 167.9
[M+Na]+ 301.152278 171.5
[M-H]- 277.155784 173.8
[M+NH4]+ 296.196883 182.1
[M+K]+ 317.126218 172.5
[M+H-H2O]+ 261.160320 159.8
[M+HCOO]- 323.161261 187.9
[M+CH3COO]- 337.176911 207.8
[M+Na-2H]- 299.137726 173.7
[M]+ 278.16251142 170.1
[M]- 278.16360858 170.1
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.