CID 9554822

4-methoxybenzoic (3-nitrobenzylidene)hydrazide

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 165.4
[M+Na]+ 322.07982 170.4
[M-H]- 298.08332 173.3
[M+NH4]+ 317.12442 179.1
[M+K]+ 338.05376 163.9
[M+H-H2O]+ 282.08786 160.9
[M+HCOO]- 344.08880 193.6
[M+CH3COO]- 358.10445 202.8
[M+Na-2H]- 320.06527 172.7
[M]+ 299.09005 165.2
[M]- 299.09115 165.2
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.