CID 5086577

1-(2-furyl)-3-(4-methoxyanilino)-1-propanone

Structural Information

Molecular Formula
C14H15NO3
SMILES
COC1=CC=C(C=C1)NCCC(=O)C2=CC=CO2
InChI
InChI=1S/C14H15NO3/c1-17-12-6-4-11(5-7-12)15-9-8-13(16)14-3-2-10-18-14/h2-7,10,15H,8-9H2,1H3
InChIKey
HDQJYYUCFXPIPN-UHFFFAOYSA-N
Compound name
1-(furan-2-yl)-3-(4-methoxyanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1052 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11248 154.9
[M+Na]+ 268.09442 161.3
[M-H]- 244.09792 162.3
[M+NH4]+ 263.13902 172.1
[M+K]+ 284.06836 160.0
[M+H-H2O]+ 228.10246 147.6
[M+HCOO]- 290.10340 180.0
[M+CH3COO]- 304.11905 194.1
[M+Na-2H]- 266.07987 159.8
[M]+ 245.10465 158.0
[M]- 245.10575 158.0
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.