CID 9575533

3-nitro-benzoic acid, (3-hydroxy-4-phenoxy-benzylidene)-hydrazide

Structural Information

Molecular Formula
C20H15N3O5
SMILES
C1=CC=C(C=C1)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])O
InChI
InChI=1S/C20H15N3O5/c24-18-11-14(9-10-19(18)28-17-7-2-1-3-8-17)13-21-22-20(25)15-5-4-6-16(12-15)23(26)27/h1-13,24H,(H,22,25)/b21-13+
InChIKey
YDVCIQBBEHRJAG-FYJGNVAPSA-N
Compound name
N-[(E)-(3-hydroxy-4-phenoxyphenyl)methylideneamino]-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.10117 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.10845 184.8
[M+Na]+ 400.09039 188.4
[M-H]- 376.09389 194.2
[M+NH4]+ 395.13499 193.8
[M+K]+ 416.06433 180.5
[M+H-H2O]+ 360.09843 178.4
[M+HCOO]- 422.09937 210.8
[M+CH3COO]- 436.11502 214.9
[M+Na-2H]- 398.07584 191.3
[M]+ 377.10062 183.4
[M]- 377.10172 183.4
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.