CID 5331819

N'-{4-chloro-3-nitrobenzylidene}-2,4-dihydroxybenzohydrazide

Structural Information

Molecular Formula
C14H10ClN3O5
SMILES
C1=CC(=C(C=C1/C=N/NC(=O)C2=C(C=C(C=C2)O)O)[N+](=O)[O-])Cl
InChI
InChI=1S/C14H10ClN3O5/c15-11-4-1-8(5-12(11)18(22)23)7-16-17-14(21)10-3-2-9(19)6-13(10)20/h1-7,19-20H,(H,17,21)/b16-7+
InChIKey
VLFCISRRIFVYML-FRKPEAEDSA-N
Compound name
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2,4-dihydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.03088 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.03816 170.6
[M+Na]+ 358.02010 177.1
[M-H]- 334.02360 176.4
[M+NH4]+ 353.06470 182.8
[M+K]+ 373.99404 168.6
[M+H-H2O]+ 318.02814 168.1
[M+HCOO]- 380.02908 191.8
[M+CH3COO]- 394.04473 203.1
[M+Na-2H]- 356.00555 175.9
[M]+ 335.03033 171.0
[M]- 335.03143 171.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.