CID 4230459

3-(4-ethoxyanilino)-1-(4-fluorophenyl)-1-propanone

Structural Information

Molecular Formula
C17H18FNO2
SMILES
CCOC1=CC=C(C=C1)NCCC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C17H18FNO2/c1-2-21-16-9-7-15(8-10-16)19-12-11-17(20)13-3-5-14(18)6-4-13/h3-10,19H,2,11-12H2,1H3
InChIKey
IDKIAMQQOHMTSN-UHFFFAOYSA-N
Compound name
3-(4-ethoxyanilino)-1-(4-fluorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.13217 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.13945 166.1
[M+Na]+ 310.12139 172.3
[M-H]- 286.12489 171.2
[M+NH4]+ 305.16599 181.2
[M+K]+ 326.09533 168.2
[M+H-H2O]+ 270.12943 156.9
[M+HCOO]- 332.13037 189.0
[M+CH3COO]- 346.14602 204.9
[M+Na-2H]- 308.10684 169.6
[M]+ 287.13162 166.7
[M]- 287.13272 166.7
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.