CID 24209002

853329-98-3

Structural Information

Molecular Formula
C17H18N2O5
SMILES
C1COCCN1C(=O)CCC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H18N2O5/c20-17(18-8-10-23-11-9-18)7-5-15-4-6-16(24-15)13-2-1-3-14(12-13)19(21)22/h1-4,6,12H,5,7-11H2
InChIKey
SEDULAINAFHBSG-UHFFFAOYSA-N
Compound name
1-morpholin-4-yl-3-[5-(3-nitrophenyl)furan-2-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.12158 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.12886 174.3
[M+Na]+ 353.11080 186.6
[M+NH4]+ 348.15540 180.7
[M+K]+ 369.08474 185.9
[M-H]- 329.11430 181.9
[M+Na-2H]- 351.09625 179.8
[M]+ 330.12103 177.9
[M]- 330.12213 177.9
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.