CID 253353

3805-41-2

Structural Information

Molecular Formula
C13H10N4O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H10N4O4/c18-16(19)12-6-4-11(5-7-12)15-14-9-10-2-1-3-13(8-10)17(20)21/h1-9,15H
InChIKey
DUJGQCJQVKGBBA-UHFFFAOYSA-N
Compound name
4-nitro-N-[(3-nitrophenyl)methylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

286.0702 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.07748 160.6
[M+Na]+ 309.05942 164.5
[M-H]- 285.06292 168.1
[M+NH4]+ 304.10402 173.3
[M+K]+ 325.03336 153.7
[M+H-H2O]+ 269.06746 160.4
[M+HCOO]- 331.06840 189.6
[M+CH3COO]- 345.08405 195.6
[M+Na-2H]- 307.04487 170.8
[M]+ 286.06965 156.8
[M]- 286.07075 156.8
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.