CID 3401521

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

Structural Information

Molecular Formula
C20H19NO2
SMILES
COC1=CC=C(C=C1)NCCC(=O)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C20H19NO2/c1-23-19-10-8-18(9-11-19)21-13-12-20(22)17-7-6-15-4-2-3-5-16(15)14-17/h2-11,14,21H,12-13H2,1H3
InChIKey
VJOXCONJBHSZNU-UHFFFAOYSA-N
Compound name
3-(4-methoxyanilino)-1-naphthalen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.14157 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.14885 171.7
[M+Na]+ 328.13079 177.8
[M-H]- 304.13429 178.8
[M+NH4]+ 323.17539 186.8
[M+K]+ 344.10473 172.9
[M+H-H2O]+ 288.13883 162.8
[M+HCOO]- 350.13977 194.3
[M+CH3COO]- 364.15542 209.0
[M+Na-2H]- 326.11624 177.5
[M]+ 305.14102 173.0
[M]- 305.14212 173.0
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.