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 172.9
[M+Na]+ 342.11007 179.5
[M-H]- 318.11357 182.3
[M+NH4]+ 337.15467 187.5
[M+K]+ 358.08401 176.9
[M+H-H2O]+ 302.11811 165.1
[M+HCOO]- 364.11905 192.9
[M+CH3COO]- 378.13470 184.3
[M+Na-2H]- 340.09552 179.1
[M]+ 319.12030 175.1
[M]- 319.12140 175.1
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.