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]+ 320.104806 175.0
[M+Na]+ 342.086748 181.2
[M-H]- 318.090254 183.8
[M+NH4]+ 337.131353 187.3
[M+K]+ 358.060688 178.4
[M+H-H2O]+ 302.094790 166.8
[M+HCOO]- 364.095731 188.1
[M+CH3COO]- 378.111381 185.6
[M+Na-2H]- 340.072196 176.1
[M]+ 319.09698142 176.5
[M]- 319.09807858 176.5
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.