CID 3306761

477328-96-4

Structural Information

Molecular Formula
C20H18ClNO2
SMILES
COC1=C(C=C(C=C1)Cl)NCCC(=O)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C20H18ClNO2/c1-24-20-9-8-17(21)13-18(20)22-11-10-19(23)16-7-6-14-4-2-3-5-15(14)12-16/h2-9,12-13,22H,10-11H2,1H3
InChIKey
PAEQIWLEEGCNHL-UHFFFAOYSA-N
Compound name
3-(5-chloro-2-methoxyanilino)-1-naphthalen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1026 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.10988 179.0
[M+Na]+ 362.09182 195.3
[M+NH4]+ 357.13642 188.2
[M+K]+ 378.06576 185.2
[M-H]- 338.09532 185.2
[M+Na-2H]- 360.07727 188.3
[M]+ 339.10205 183.6
[M]- 339.10315 183.6
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.