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

16
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 164.7
[M+Na]+ 308.12572 169.5
[M-H]- 284.12922 172.5
[M+NH4]+ 303.17032 177.9
[M+K]+ 324.09966 168.3
[M+H-H2O]+ 268.13376 155.9
[M+HCOO]- 330.13470 184.8
[M+CH3COO]- 344.15035 175.8
[M+Na-2H]- 306.11117 173.5
[M]+ 285.13595 165.8
[M]- 285.13705 165.8
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