CID 9570379

4-nitrophenylglyoxal n,n-diethylhydrazone

Structural Information

Molecular Formula
C12H15N3O3
SMILES
CCN(CC)/N=C/C(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C12H15N3O3/c1-3-14(4-2)13-9-12(16)10-5-7-11(8-6-10)15(17)18/h5-9H,3-4H2,1-2H3/b13-9+
InChIKey
VHAXHUSUMSLYQT-UKTHLTGXSA-N
Compound name
(2E)-2-(diethylhydrazinylidene)-1-(4-nitrophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.11134 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.11862 155.2
[M+Na]+ 272.10056 165.9
[M+NH4]+ 267.14516 161.9
[M+K]+ 288.07450 162.9
[M-H]- 248.10406 159.0
[M+Na-2H]- 270.08601 160.8
[M]+ 249.11079 157.3
[M]- 249.11189 157.3
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.