CID 44629971

6-(1-naphthylamino)-1,4-benzodioxane

Structural Information

Molecular Formula
C18H15NO2
SMILES
C1COC2=C(O1)C=CC(=C2)NC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C18H15NO2/c1-2-6-15-13(4-1)5-3-7-16(15)19-14-8-9-17-18(12-14)21-11-10-20-17/h1-9,12,19H,10-11H2
InChIKey
WFXOBCJXPSQWNH-UHFFFAOYSA-N
Compound name
N-naphthalen-1-yl-2,3-dihydro-1,4-benzodioxin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1103 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11758 160.2
[M+Na]+ 300.09952 167.1
[M-H]- 276.10302 169.4
[M+NH4]+ 295.14412 174.8
[M+K]+ 316.07346 164.5
[M+H-H2O]+ 260.10756 151.4
[M+HCOO]- 322.10850 179.4
[M+CH3COO]- 336.12415 172.0
[M+Na-2H]- 298.08497 170.5
[M]+ 277.10975 159.3
[M]- 277.11085 159.3
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

No patent data available for this compound.