CID 3306761

3-(5-chloro-2-methoxyanilino)-1-(2-naphthyl)-1-propanone

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 178.7
[M+Na]+ 362.09182 186.6
[M-H]- 338.09532 185.9
[M+NH4]+ 357.13642 193.7
[M+K]+ 378.06576 180.1
[M+H-H2O]+ 322.09986 170.7
[M+HCOO]- 384.10080 196.8
[M+CH3COO]- 398.11645 213.7
[M+Na-2H]- 360.07727 183.2
[M]+ 339.10205 182.9
[M]- 339.10315 182.9
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.