CID 17954

2906-71-0

Structural Information

Molecular Formula
C17H19NO3
SMILES
C1COC2=C(O1)C=CC=C2OCCNCC3=CC=CC=C3
InChI
InChI=1S/C17H19NO3/c1-2-5-14(6-3-1)13-18-9-10-19-15-7-4-8-16-17(15)21-12-11-20-16/h1-8,18H,9-13H2
InChIKey
FQMXTQIAQDTDHG-UHFFFAOYSA-N
Compound name
N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

285.1365 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14378 166.9
[M+Na]+ 308.12572 180.8
[M+NH4]+ 303.17032 175.7
[M+K]+ 324.09966 172.8
[M-H]- 284.12922 175.1
[M+Na-2H]- 306.11117 174.4
[M]+ 285.13595 171.3
[M]- 285.13705 171.3
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

patents stripe