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 182.2
[M+Na]+ 363.13152 185.8
[M-H]- 339.13502 190.6
[M+NH4]+ 358.17612 193.1
[M+K]+ 379.10546 178.5
[M+H-H2O]+ 323.13956 177.6
[M+HCOO]- 385.14050 201.2
[M+CH3COO]- 399.15615 203.4
[M+Na-2H]- 361.11697 183.5
[M]+ 340.14175 178.4
[M]- 340.14285 178.4
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.