CID 6446612

3-(5-nitro-2-furanyl)-1-(4-(1-piperidinyl)phenyl)-2-propen-1-one

Structural Information

Molecular Formula
C18H18N2O4
SMILES
C1CCN(CC1)C2=CC=C(C=C2)C(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C18H18N2O4/c21-17(10-8-16-9-11-18(24-16)20(22)23)14-4-6-15(7-5-14)19-12-2-1-3-13-19/h4-11H,1-3,12-13H2/b10-8+
InChIKey
ZIWGYTWHVZGFHW-CSKARUKUSA-N
Compound name
(E)-3-(5-nitrofuran-2-yl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

326.12665 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.13393 175.0
[M+Na]+ 349.11587 187.3
[M+NH4]+ 344.16047 181.6
[M+K]+ 365.08981 185.4
[M-H]- 325.11937 181.5
[M+Na-2H]- 347.10132 181.1
[M]+ 326.12610 178.2
[M]- 326.12720 178.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.