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 188.5
[M+Na]+ 397.09072 191.3
[M-H]- 373.09422 199.6
[M+NH4]+ 392.13532 197.7
[M+K]+ 413.06466 179.0
[M+H-H2O]+ 357.09876 185.6
[M+HCOO]- 419.09970 217.4
[M+CH3COO]- 433.11535 214.5
[M+Na-2H]- 395.07617 197.0
[M]+ 374.10095 185.5
[M]- 374.10205 185.5
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.