CID 45051371

853351-45-8

Structural Information

Molecular Formula
C17H16N2O4
SMILES
C1CCN(C1)C(=O)/C=C/C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H16N2O4/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/h3-9,12H,1-2,10-11H2/b9-7+
InChIKey
XYLUTSANKCVOES-VQHVLOKHSA-N
Compound name
(E)-3-[5-(3-nitrophenyl)furan-2-yl]-1-pyrrolidin-1-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.111 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11828 171.3
[M+Na]+ 335.10022 182.6
[M+NH4]+ 330.14482 177.8
[M+K]+ 351.07416 183.2
[M-H]- 311.10372 177.1
[M+Na-2H]- 333.08567 176.8
[M]+ 312.11045 174.2
[M]- 312.11155 174.2
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.