CID 5352216

Phenylacetaldehyde (2,4-dinitrophenyl)hydrazone

Structural Information

Molecular Formula
C14H12N4O4
SMILES
C1=CC=C(C=C1)C/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C14H12N4O4/c19-17(20)12-6-7-13(14(10-12)18(21)22)16-15-9-8-11-4-2-1-3-5-11/h1-7,9-10,16H,8H2/b15-9+
InChIKey
QYBYRPHXHXLZGL-OQLLNIDSSA-N
Compound name
2,4-dinitro-N-[(E)-2-phenylethylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.08585 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.093126 165.4
[M+Na]+ 323.075068 168.8
[M-H]- 299.078574 172.7
[M+NH4]+ 318.119673 177.5
[M+K]+ 339.049008 157.8
[M+H-H2O]+ 283.083110 164.9
[M+HCOO]- 345.084051 194.0
[M+CH3COO]- 359.099701 198.6
[M+Na-2H]- 321.060516 175.0
[M]+ 300.08530142 161.9
[M]- 300.08639858 161.9
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.