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]+ 341.149576 182.2
[M+Na]+ 363.131518 185.8
[M-H]- 339.135024 190.6
[M+NH4]+ 358.176123 193.1
[M+K]+ 379.105458 178.5
[M+H-H2O]+ 323.139560 177.6
[M+HCOO]- 385.140501 201.2
[M+CH3COO]- 399.156151 203.4
[M+Na-2H]- 361.116966 183.5
[M]+ 340.14175142 178.4
[M]- 340.14284858 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.