CID 499415

Nsc676732

Structural Information

Molecular Formula
C12H9N3O2
SMILES
C1=CC=NC(=C1)C=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H9N3O2/c16-15(17)12-6-4-10(5-7-12)14-9-11-3-1-2-8-13-11/h1-9H
InChIKey
SPPXMZPDUMPGQM-UHFFFAOYSA-N
Compound name
N-(4-nitrophenyl)-1-pyridin-2-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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

literature stripe

Patent stripe

patents stripe