CID 24209001

853329-95-0

Structural Information

Molecular Formula
C18H20N2O4
SMILES
C1CCN(CC1)C(=O)CCC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H20N2O4/c21-18(19-11-2-1-3-12-19)10-8-16-7-9-17(24-16)14-5-4-6-15(13-14)20(22)23/h4-7,9,13H,1-3,8,10-12H2
InChIKey
NCLKVLLTDRRTOV-UHFFFAOYSA-N
Compound name
3-[5-(3-nitrophenyl)furan-2-yl]-1-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.1423 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.14958 178.0
[M+Na]+ 351.13152 180.7
[M-H]- 327.13502 186.1
[M+NH4]+ 346.17612 189.1
[M+K]+ 367.10546 174.2
[M+H-H2O]+ 311.13956 173.2
[M+HCOO]- 373.14050 197.1
[M+CH3COO]- 387.15615 200.8
[M+Na-2H]- 349.11697 180.4
[M]+ 328.14175 174.1
[M]- 328.14285 174.1
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.