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]+ 318.123696 172.2
[M+Na]+ 340.105638 176.6
[M-H]- 316.109144 182.7
[M+NH4]+ 335.150243 184.7
[M+K]+ 356.079578 167.6
[M+H-H2O]+ 300.113680 166.3
[M+HCOO]- 362.114621 200.5
[M+CH3COO]- 376.130271 207.6
[M+Na-2H]- 338.091086 180.8
[M]+ 317.11587142 169.4
[M]- 317.11696858 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.