CID 3064426

102128-79-0

Structural Information

Molecular Formula
C15H22N2O3
SMILES
CCN(CCC(=O)NC)CC1COC2=CC=CC=C2O1
InChI
InChI=1S/C15H22N2O3/c1-3-17(9-8-15(18)16-2)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
UXNWDCWZXDAGBS-UHFFFAOYSA-N
Compound name
3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]-N-methylpropanamide
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]+ 279.17034 167.9
[M+Na]+ 301.15228 171.5
[M-H]- 277.15578 173.8
[M+NH4]+ 296.19688 182.1
[M+K]+ 317.12622 172.5
[M+H-H2O]+ 261.16032 159.8
[M+HCOO]- 323.16126 187.9
[M+CH3COO]- 337.17691 207.8
[M+Na-2H]- 299.13773 173.7
[M]+ 278.16251 170.1
[M]- 278.16361 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.