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]+ 228.07675 147.0
[M+Na]+ 250.05869 153.7
[M-H]- 226.06219 153.8
[M+NH4]+ 245.10329 162.8
[M+K]+ 266.03263 146.6
[M+H-H2O]+ 210.06673 142.8
[M+HCOO]- 272.06767 174.5
[M+CH3COO]- 286.08332 187.2
[M+Na-2H]- 248.04414 157.4
[M]+ 227.06892 145.4
[M]- 227.07002 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