CID 9561795

2571-00-8

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

0
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 169.2
[M+Na]+ 323.07507 182.8
[M+NH4]+ 318.11967 176.1
[M+K]+ 339.04901 180.8
[M-H]- 299.07857 176.8
[M+Na-2H]- 321.06052 176.9
[M]+ 300.08530 173.0
[M]- 300.08640 173.0
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.