CID 3076167

130397-03-4

Structural Information

Molecular Formula
C19H23NO2
SMILES
CN(C)C(CCC1=CC=CC=C1)C2=CC3=C(C=C2)OCCO3
InChI
InChI=1S/C19H23NO2/c1-20(2)17(10-8-15-6-4-3-5-7-15)16-9-11-18-19(14-16)22-13-12-21-18/h3-7,9,11,14,17H,8,10,12-13H2,1-2H3
InChIKey
DAFGZWWIRKYTIK-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethyl-3-phenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.17288 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18016 173.0
[M+Na]+ 320.16210 176.8
[M-H]- 296.16560 181.8
[M+NH4]+ 315.20670 186.2
[M+K]+ 336.13604 176.4
[M+H-H2O]+ 280.17014 163.9
[M+HCOO]- 342.17108 191.5
[M+CH3COO]- 356.18673 209.9
[M+Na-2H]- 318.14755 178.4
[M]+ 297.17233 173.8
[M]- 297.17343 173.8
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

No patent data available for this compound.