CID 4328831

477333-91-8

Structural Information

Molecular Formula
C20H17NO3
SMILES
C1OC2=C(O1)C=C(C=C2)NCCC(=O)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C20H17NO3/c22-18(16-6-5-14-3-1-2-4-15(14)11-16)9-10-21-17-7-8-19-20(12-17)24-13-23-19/h1-8,11-12,21H,9-10,13H2
InChIKey
OJPOSRJENOZSKA-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-ylamino)-1-naphthalen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.12085 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.12813 174.4
[M+Na]+ 342.11007 188.6
[M+NH4]+ 337.15467 183.4
[M+K]+ 358.08401 182.6
[M-H]- 318.11357 182.6
[M+Na-2H]- 340.09552 180.8
[M]+ 319.12030 178.9
[M]- 319.12140 178.9
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.