CID 3428487

Alpha-(4-nitrobenzylidene)-n-phenyl-2-pyridinemethylamine

Structural Information

Molecular Formula
C19H15N3O2
SMILES
C1=CC=C(C=C1)NC(=CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=N3
InChI
InChI=1S/C19H15N3O2/c23-22(24)17-11-9-15(10-12-17)14-19(18-8-4-5-13-20-18)21-16-6-2-1-3-7-16/h1-14,21H
InChIKey
CKBYZOPWFHLNPW-UHFFFAOYSA-N
Compound name
N-[2-(4-nitrophenyl)-1-pyridin-2-ylethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.11642 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.12370 172.5
[M+Na]+ 340.10564 176.1
[M-H]- 316.10914 180.1
[M+NH4]+ 335.15024 182.9
[M+K]+ 356.07958 166.4
[M+H-H2O]+ 300.11368 166.3
[M+HCOO]- 362.11462 196.1
[M+CH3COO]- 376.13027 202.4
[M+Na-2H]- 338.09109 180.2
[M]+ 317.11587 168.0
[M]- 317.11697 168.0
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.