CID 86261405

N'-(4-hydroxy-3-methoxybenzylidene)-3-nitrobenzohydrazide

Structural Information

Molecular Formula
C15H13N3O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])O
InChI
InChI=1S/C15H13N3O5/c1-23-14-7-10(5-6-13(14)19)9-16-17-15(20)11-3-2-4-12(8-11)18(21)22/h2-9,19H,1H3,(H,17,20)/b16-9+
InChIKey
XPLPPZLEYATMBG-CXUHLZMHSA-N
Compound name
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

315.0855 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.092776 167.7
[M+Na]+ 338.074718 172.9
[M-H]- 314.078224 174.6
[M+NH4]+ 333.119323 180.2
[M+K]+ 354.048658 166.3
[M+H-H2O]+ 298.082760 163.3
[M+HCOO]- 360.083701 194.5
[M+CH3COO]- 374.099351 203.6
[M+Na-2H]- 336.060166 174.2
[M]+ 315.08495142 167.4
[M]- 315.08604858 167.4
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.