CID 3058440

75273-94-8

Structural Information

Molecular Formula
C13H11N3O3
SMILES
COC1=C(C=CC(=C1)[N+](=O)[O-])N=CC2=CC=NC=C2
InChI
InChI=1S/C13H11N3O3/c1-19-13-8-11(16(17)18)2-3-12(13)15-9-10-4-6-14-7-5-10/h2-9H,1H3
InChIKey
KKTPOHVCUDRPPV-UHFFFAOYSA-N
Compound name
N-(2-methoxy-4-nitrophenyl)-1-pyridin-4-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.08005 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.087326 155.1
[M+Na]+ 280.069268 162.1
[M-H]- 256.072774 162.1
[M+NH4]+ 275.113873 169.8
[M+K]+ 296.043208 155.3
[M+H-H2O]+ 240.077310 150.5
[M+HCOO]- 302.078251 182.4
[M+CH3COO]- 316.093901 193.3
[M+Na-2H]- 278.054716 164.4
[M]+ 257.07950142 155.5
[M]- 257.08059858 155.5
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.