CID 56693

1,4-benzodioxin-6-propanamine, 2,3-dihydro-alpha-(4-methoxyphenyl)-, hydrochloride

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]+ 300.159406 171.9
[M+Na]+ 322.141348 176.9
[M-H]- 298.144854 179.4
[M+NH4]+ 317.185953 184.4
[M+K]+ 338.115288 175.6
[M+H-H2O]+ 282.149390 163.2
[M+HCOO]- 344.150331 189.8
[M+CH3COO]- 358.165981 206.4
[M+Na-2H]- 320.126796 177.0
[M]+ 299.15158142 172.1
[M]- 299.15267858 172.1
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.