CID 24212548

853312-31-9

Structural Information

Molecular Formula
C17H18ClNO3
SMILES
C1COCCN1C(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H18ClNO3/c18-14-3-1-13(2-4-14)16-7-5-15(22-16)6-8-17(20)19-9-11-21-12-10-19/h1-5,7H,6,8-12H2
InChIKey
VWMOGONNYFYJII-UHFFFAOYSA-N
Compound name
3-[5-(4-chlorophenyl)furan-2-yl]-1-morpholin-4-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.09753 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.10481 172.9
[M+Na]+ 342.08675 186.8
[M+NH4]+ 337.13135 180.9
[M+K]+ 358.06069 181.5
[M-H]- 318.09025 180.2
[M+Na-2H]- 340.07220 179.6
[M]+ 319.09698 177.2
[M]- 319.09808 177.2
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.