CID 3249855

N,n'-bis(3-nitrobenzylidene)-1,4-phenylenediamine

Structural Information

Molecular Formula
C20H14N4O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)N=CC3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H14N4O4/c25-23(26)19-5-1-3-15(11-19)13-21-17-7-9-18(10-8-17)22-14-16-4-2-6-20(12-16)24(27)28/h1-14H
InChIKey
NIGSPDMFTXJDPP-UHFFFAOYSA-N
Compound name
1-(3-nitrophenyl)-N-[4-[(3-nitrophenyl)methylideneamino]phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1015 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10878 189.8
[M+Na]+ 397.09072 205.4
[M+NH4]+ 392.13532 196.9
[M+K]+ 413.06466 201.1
[M-H]- 373.09422 200.1
[M+Na-2H]- 395.07617 200.4
[M]+ 374.10095 194.8
[M]- 374.10205 194.8
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.