CID 5378548

Acetophenone (2,4-dinitrophenyl)hydrazone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

300.08585 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.09313 165.0
[M+Na]+ 323.07507 168.2
[M-H]- 299.07857 172.4
[M+NH4]+ 318.11967 177.1
[M+K]+ 339.04901 157.8
[M+H-H2O]+ 283.08311 164.8
[M+HCOO]- 345.08405 192.7
[M+CH3COO]- 359.09970 199.1
[M+Na-2H]- 321.06052 173.6
[M]+ 300.08530 160.9
[M]- 300.08640 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

literature stripe

Patent stripe

patents stripe