CID 3094002

3-nitro-benzoic acid (2-hydroxy-benzylidene)-hydrazide

Structural Information

Molecular Formula
C14H11N3O4
SMILES
C1=CC=C(C(=C1)C=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])O
InChI
InChI=1S/C14H11N3O4/c18-13-7-2-1-4-11(13)9-15-16-14(19)10-5-3-6-12(8-10)17(20)21/h1-9,18H,(H,16,19)
InChIKey
RMHSVTCXLRMIRJ-UHFFFAOYSA-N
Compound name
N-[(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

6
Patents

285.07495 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08223 161.7
[M+Na]+ 308.06417 174.0
[M+NH4]+ 303.10877 168.2
[M+K]+ 324.03811 170.7
[M-H]- 284.06767 167.0
[M+Na-2H]- 306.04962 169.5
[M]+ 285.07440 164.6
[M]- 285.07550 164.6
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

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