CID 24209000

853329-92-7

Structural Information

Molecular Formula
C17H18N2O4
SMILES
C1CCN(C1)C(=O)CCC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H18N2O4/c20-17(18-10-1-2-11-18)9-7-15-6-8-16(23-15)13-4-3-5-14(12-13)19(21)22/h3-6,8,12H,1-2,7,9-11H2
InChIKey
MAIMCBOWPGXVFF-UHFFFAOYSA-N
Compound name
3-[5-(3-nitrophenyl)furan-2-yl]-1-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.12665 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13393 171.8
[M+Na]+ 337.11587 183.1
[M+NH4]+ 332.16047 178.6
[M+K]+ 353.08981 183.8
[M-H]- 313.11937 177.9
[M+Na-2H]- 335.10132 177.4
[M]+ 314.12610 174.8
[M]- 314.12720 174.8
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.