CID 9554822

Nsc-203867

Structural Information

Molecular Formula
C15H13N3O4
SMILES
COC1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H13N3O4/c1-22-14-7-5-12(6-8-14)15(19)17-16-10-11-3-2-4-13(9-11)18(20)21/h2-10H,1H3,(H,17,19)/b16-10+
InChIKey
HSROVYYCGBKLEL-MHWRWJLKSA-N
Compound name
4-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.0906 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.09788 166.1
[M+Na]+ 322.07982 178.7
[M+NH4]+ 317.12442 172.8
[M+K]+ 338.05376 174.9
[M-H]- 298.08332 171.9
[M+Na-2H]- 320.06527 174.3
[M]+ 299.09005 169.2
[M]- 299.09115 169.2
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

No patent data available for this compound.