CID 4217397

882748-52-9

Structural Information

Molecular Formula
C20H18FNO
SMILES
CC1=C(C=C(C=C1)NCCC(=O)C2=CC3=CC=CC=C3C=C2)F
InChI
InChI=1S/C20H18FNO/c1-14-6-9-18(13-19(14)21)22-11-10-20(23)17-8-7-15-4-2-3-5-16(15)12-17/h2-9,12-13,22H,10-11H2,1H3
InChIKey
QQULCTSOWNGDGL-UHFFFAOYSA-N
Compound name
3-(3-fluoro-4-methylanilino)-1-naphthalen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.13724 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.14452 171.9
[M+Na]+ 330.12646 179.1
[M-H]- 306.12996 177.9
[M+NH4]+ 325.17106 187.2
[M+K]+ 346.10040 173.1
[M+H-H2O]+ 290.13450 162.4
[M+HCOO]- 352.13544 193.2
[M+CH3COO]- 366.15109 210.7
[M+Na-2H]- 328.11191 176.2
[M]+ 307.13669 171.1
[M]- 307.13779 171.1
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.