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 175.0
[M+Na]+ 342.08675 181.2
[M-H]- 318.09025 183.8
[M+NH4]+ 337.13135 187.3
[M+K]+ 358.06069 178.4
[M+H-H2O]+ 302.09479 166.8
[M+HCOO]- 364.09573 188.1
[M+CH3COO]- 378.11138 185.6
[M+Na-2H]- 340.07220 176.1
[M]+ 319.09698 176.5
[M]- 319.09808 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.