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]+ 329.149576 178.0
[M+Na]+ 351.131518 180.7
[M-H]- 327.135024 186.1
[M+NH4]+ 346.176123 189.1
[M+K]+ 367.105458 174.2
[M+H-H2O]+ 311.139560 173.2
[M+HCOO]- 373.140501 197.1
[M+CH3COO]- 387.156151 200.8
[M+Na-2H]- 349.116966 180.4
[M]+ 328.14175142 174.1
[M]- 328.14284858 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.