CID 306792

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

Structural Information

Molecular Formula
C19H15N3O2
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)N=CC3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H15N3O2/c23-22(24)19-8-4-5-15(13-19)14-20-16-9-11-18(12-10-16)21-17-6-2-1-3-7-17/h1-14,21H
InChIKey
DZCBYRPPMXRXFW-UHFFFAOYSA-N
Compound name
4-[(3-nitrophenyl)methylideneamino]-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.11642 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.12370 172.2
[M+Na]+ 340.10564 176.6
[M-H]- 316.10914 182.7
[M+NH4]+ 335.15024 184.7
[M+K]+ 356.07958 167.6
[M+H-H2O]+ 300.11368 166.3
[M+HCOO]- 362.11462 200.5
[M+CH3COO]- 376.13027 207.6
[M+Na-2H]- 338.09109 180.8
[M]+ 317.11587 169.4
[M]- 317.11697 169.4
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.