CID 692052

2-(3-nitrobenzylideneamino)pyridine

Structural Information

Molecular Formula
C12H9N3O2
SMILES
C1=CC=NC(=C1)N=CC2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H9N3O2/c16-15(17)11-5-3-4-10(8-11)9-14-12-6-1-2-7-13-12/h1-9H
InChIKey
UJDGGSJKGFHUBU-UHFFFAOYSA-N
Compound name
1-(3-nitrophenyl)-N-pyridin-2-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

227.06947 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.076746 147.0
[M+Na]+ 250.058688 153.7
[M-H]- 226.062194 153.8
[M+NH4]+ 245.103293 162.8
[M+K]+ 266.032628 146.6
[M+H-H2O]+ 210.066730 142.8
[M+HCOO]- 272.067671 174.5
[M+CH3COO]- 286.083321 187.2
[M+Na-2H]- 248.044136 157.4
[M]+ 227.06892142 145.4
[M]- 227.07001858 145.4
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

patents stripe