CID 5718061

4'-nitroacetophenone 4-nitrophenylhydrazone

Structural Information

Molecular Formula
C14H12N4O4
SMILES
C/C(=N/NC1=CC=C(C=C1)[N+](=O)[O-])/C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H12N4O4/c1-10(11-2-6-13(7-3-11)17(19)20)15-16-12-4-8-14(9-5-12)18(21)22/h2-9,16H,1H3/b15-10-
InChIKey
HXWIDJSTRZCIBE-GDNBJRDFSA-N
Compound name
4-nitro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.08585 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.093126 165.0
[M+Na]+ 323.075068 168.2
[M-H]- 299.078574 172.4
[M+NH4]+ 318.119673 177.1
[M+K]+ 339.049008 157.8
[M+H-H2O]+ 283.083110 164.8
[M+HCOO]- 345.084051 192.7
[M+CH3COO]- 359.099701 199.1
[M+Na-2H]- 321.060516 173.6
[M]+ 300.08530142 160.9
[M]- 300.08639858 160.9
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

patents stripe