CID 855038

724753-95-1

Structural Information

Molecular Formula
C19H17NO3
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)NCCC(=O)C3=CC=CO3
InChI
InChI=1S/C19H17NO3/c21-18(19-7-4-14-22-19)12-13-20-15-8-10-17(11-9-15)23-16-5-2-1-3-6-16/h1-11,14,20H,12-13H2
InChIKey
MALVCAKEICAXCK-UHFFFAOYSA-N
Compound name
1-(furan-2-yl)-3-(4-phenoxyanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

307.12085 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12813 171.2
[M+Na]+ 330.11007 176.7
[M-H]- 306.11357 181.4
[M+NH4]+ 325.15467 185.2
[M+K]+ 346.08401 173.8
[M+H-H2O]+ 290.11811 162.4
[M+HCOO]- 352.11905 195.9
[M+CH3COO]- 366.13470 205.1
[M+Na-2H]- 328.09552 175.6
[M]+ 307.12030 173.3
[M]- 307.12140 173.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.