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]+ 258.08733 155.1
[M+Na]+ 280.06927 162.1
[M-H]- 256.07277 162.1
[M+NH4]+ 275.11387 169.8
[M+K]+ 296.04321 155.3
[M+H-H2O]+ 240.07731 150.5
[M+HCOO]- 302.07825 182.4
[M+CH3COO]- 316.09390 193.3
[M+Na-2H]- 278.05472 164.4
[M]+ 257.07950 155.5
[M]- 257.08060 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.