CID 45051373

853351-51-6

Structural Information

Molecular Formula
C19H20N2O4
SMILES
CC1CCN(CC1)C(=O)/C=C/C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H20N2O4/c1-14-9-11-20(12-10-14)19(22)8-6-17-5-7-18(25-17)15-3-2-4-16(13-15)21(23)24/h2-8,13-14H,9-12H2,1H3/b8-6+
InChIKey
FTDIJLRGHJKIHG-SOFGYWHQSA-N
Compound name
(E)-1-(4-methylpiperidin-1-yl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1423 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14958 179.5
[M+Na]+ 363.13152 192.0
[M+NH4]+ 358.17612 186.0
[M+K]+ 379.10546 190.1
[M-H]- 339.13502 186.1
[M+Na-2H]- 361.11697 185.2
[M]+ 340.14175 182.8
[M]- 340.14285 182.8
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.