CID 5717228

4-hydroxy-n'-(3-nitrobenzylidene)benzohydrazide

Structural Information

Molecular Formula
C14H11N3O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])/C=N/NC(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C14H11N3O4/c18-13-6-4-11(5-7-13)14(19)16-15-9-10-2-1-3-12(8-10)17(20)21/h1-9,18H,(H,16,19)/b15-9+
InChIKey
QVEDXOJKSBOJFM-OQLLNIDSSA-N
Compound name
4-hydroxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

285.07495 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08223 160.0
[M+Na]+ 308.06417 165.1
[M-H]- 284.06767 166.8
[M+NH4]+ 303.10877 173.6
[M+K]+ 324.03811 158.0
[M+H-H2O]+ 268.07221 156.0
[M+HCOO]- 330.07315 187.1
[M+CH3COO]- 344.08880 197.2
[M+Na-2H]- 306.04962 167.6
[M]+ 285.07440 157.7
[M]- 285.07550 157.7
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.