CID 4672027

477334-35-3

Structural Information

Molecular Formula
C21H19NO3
SMILES
C1COC2=C(O1)C=CC(=C2)NCCC(=O)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C21H19NO3/c23-19(17-6-5-15-3-1-2-4-16(15)13-17)9-10-22-18-7-8-20-21(14-18)25-12-11-24-20/h1-8,13-14,22H,9-12H2
InChIKey
QPILMQWJZQULLC-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-naphthalen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1365 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.14378 177.1
[M+Na]+ 356.12572 182.3
[M-H]- 332.12922 185.7
[M+NH4]+ 351.17032 188.9
[M+K]+ 372.09966 179.6
[M+H-H2O]+ 316.13376 167.5
[M+HCOO]- 378.13470 194.4
[M+CH3COO]- 392.15035 187.1
[M+Na-2H]- 354.11117 184.6
[M]+ 333.13595 177.1
[M]- 333.13705 177.1
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.