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]+ 301.09313 165.4
[M+Na]+ 323.07507 168.8
[M-H]- 299.07857 172.7
[M+NH4]+ 318.11967 177.5
[M+K]+ 339.04901 157.8
[M+H-H2O]+ 283.08311 164.9
[M+HCOO]- 345.08405 194.0
[M+CH3COO]- 359.09970 198.6
[M+Na-2H]- 321.06052 175.0
[M]+ 300.08530 161.9
[M]- 300.08640 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.