CID 56693

93638-04-1

Structural Information

Molecular Formula
C18H21NO3
SMILES
COC1=CC=C(C=C1)C(CCC2=CC3=C(C=C2)OCCO3)N
InChI
InChI=1S/C18H21NO3/c1-20-15-6-4-14(5-7-15)16(19)8-2-13-3-9-17-18(12-13)22-11-10-21-17/h3-7,9,12,16H,2,8,10-11,19H2,1H3
InChIKey
CNCCAOFHIVOLKW-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.15213 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 171.5
[M+Na]+ 322.14135 184.9
[M+NH4]+ 317.18595 179.9
[M+K]+ 338.11529 178.0
[M-H]- 298.14485 179.4
[M+Na-2H]- 320.12680 177.8
[M]+ 299.15158 175.7
[M]- 299.15268 175.7
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.