CID 49767467

2-(4-dimethylaminophenyl)-1-(5-nitro-2-furyl)ethanone

Structural Information

Molecular Formula
C14H14N2O4
SMILES
CN(C)C1=CC=C(C=C1)CC(=O)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C14H14N2O4/c1-15(2)11-5-3-10(4-6-11)9-12(17)13-7-8-14(20-13)16(18)19/h3-8H,9H2,1-2H3
InChIKey
HQGIZGRTLKCWIA-UHFFFAOYSA-N
Compound name
2-[4-(dimethylamino)phenyl]-1-(5-nitrofuran-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.09537 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.102646 162.2
[M+Na]+ 297.084588 168.0
[M-H]- 273.088094 171.3
[M+NH4]+ 292.129193 177.9
[M+K]+ 313.058528 163.8
[M+H-H2O]+ 257.092630 159.3
[M+HCOO]- 319.093571 188.5
[M+CH3COO]- 333.109221 197.9
[M+Na-2H]- 295.070036 167.1
[M]+ 274.09482142 164.0
[M]- 274.09591858 164.0
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.