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]+ 275.10265 162.2
[M+Na]+ 297.08459 168.0
[M-H]- 273.08809 171.3
[M+NH4]+ 292.12919 177.9
[M+K]+ 313.05853 163.8
[M+H-H2O]+ 257.09263 159.3
[M+HCOO]- 319.09357 188.5
[M+CH3COO]- 333.10922 197.9
[M+Na-2H]- 295.07004 167.1
[M]+ 274.09482 164.0
[M]- 274.09592 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.