CID 9561795

P-tolualdehyde 2,4-dinitrophenylhydrazone

Structural Information

Molecular Formula
C14H12N4O4
SMILES
CC1=CC=C(C=C1)/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C14H12N4O4/c1-10-2-4-11(5-3-10)9-15-16-13-7-6-12(17(19)20)8-14(13)18(21)22/h2-9,16H,1H3/b15-9+
InChIKey
KOMHUUXZDFABJZ-OQLLNIDSSA-N
Compound name
N-[(E)-(4-methylphenyl)methylideneamino]-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

300.08585 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.09313 165.7
[M+Na]+ 323.07507 170.0
[M-H]- 299.07857 173.4
[M+NH4]+ 318.11967 178.1
[M+K]+ 339.04901 159.1
[M+H-H2O]+ 283.08311 165.5
[M+HCOO]- 345.08405 194.3
[M+CH3COO]- 359.09970 199.6
[M+Na-2H]- 321.06052 174.7
[M]+ 300.08530 162.6
[M]- 300.08640 162.6
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