CID 4070806

N1-(2-nitrobenzylidene)-5-nitro-1,2-phenylenediamine

Structural Information

Molecular Formula
C13H10N4O4
SMILES
C1=CC=C(C(=C1)C=NC2=C(C=CC(=C2)[N+](=O)[O-])N)[N+](=O)[O-]
InChI
InChI=1S/C13H10N4O4/c14-11-6-5-10(16(18)19)7-12(11)15-8-9-3-1-2-4-13(9)17(20)21/h1-8H,14H2
InChIKey
TWARVKUEINMADQ-UHFFFAOYSA-N
Compound name
4-nitro-2-[(2-nitrophenyl)methylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

286.0702 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.07748 164.6
[M+Na]+ 309.05942 178.2
[M+NH4]+ 304.10402 171.6
[M+K]+ 325.03336 176.6
[M-H]- 285.06292 172.1
[M+Na-2H]- 307.04487 172.2
[M]+ 286.06965 168.3
[M]- 286.07075 168.3
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