CID 583032

152477-96-8

Structural Information

Molecular Formula
C15H14N4O4
SMILES
CC1=CC(=C(C=C1)C)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C15H14N4O4/c1-10-3-4-11(2)12(7-10)9-16-17-14-6-5-13(18(20)21)8-15(14)19(22)23/h3-9,17H,1-2H3
InChIKey
GYDQEABEWIRZLY-UHFFFAOYSA-N
Compound name
N-[(2,5-dimethylphenyl)methylideneamino]-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

314.1015 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.10878 174.0
[M+Na]+ 337.09072 187.8
[M+NH4]+ 332.13532 180.8
[M+K]+ 353.06466 185.7
[M-H]- 313.09422 181.6
[M+Na-2H]- 335.07617 181.3
[M]+ 314.10095 177.8
[M]- 314.10205 177.8
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

No patent data available for this compound.