CID 9570379

Glyoxal, p-nitrophenyl-, diethyl hydrazone

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]+ 250.118616 155.5
[M+Na]+ 272.100558 160.4
[M-H]- 248.104064 161.5
[M+NH4]+ 267.145163 172.3
[M+K]+ 288.074498 156.0
[M+H-H2O]+ 232.108600 152.4
[M+HCOO]- 294.109541 183.7
[M+CH3COO]- 308.125191 198.8
[M+Na-2H]- 270.086006 161.4
[M]+ 249.11079142 156.5
[M]- 249.11188858 156.5
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.