CID 4383785

1-(2-naphthyl)-3-(4-phenoxyanilino)-1-propanone

Structural Information

Molecular Formula
C25H21NO2
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)NCCC(=O)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C25H21NO2/c27-25(21-11-10-19-6-4-5-7-20(19)18-21)16-17-26-22-12-14-24(15-13-22)28-23-8-2-1-3-9-23/h1-15,18,26H,16-17H2
InChIKey
GTHWSUBRNKNAHS-UHFFFAOYSA-N
Compound name
1-naphthalen-2-yl-3-(4-phenoxyanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.15723 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.16451 188.8
[M+Na]+ 390.14645 193.7
[M-H]- 366.14995 198.2
[M+NH4]+ 385.19105 200.4
[M+K]+ 406.12039 187.2
[M+H-H2O]+ 350.15449 177.9
[M+HCOO]- 412.15543 210.6
[M+CH3COO]- 426.17108 198.2
[M+Na-2H]- 388.13190 194.1
[M]+ 367.15668 188.7
[M]- 367.15778 188.7
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.