CID 51061079

2-((4-chlorobenzyl)oxy)-n'-(2-nitrobenzylidene)benzohydrazide

Structural Information

Molecular Formula
C21H16ClN3O4
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)Cl)[N+](=O)[O-]
InChI
InChI=1S/C21H16ClN3O4/c22-17-11-9-15(10-12-17)14-29-20-8-4-2-6-18(20)21(26)24-23-13-16-5-1-3-7-19(16)25(27)28/h1-13H,14H2,(H,24,26)/b23-13+
InChIKey
GILXOISSUOVFAS-YDZHTSKRSA-N
Compound name
2-[(4-chlorophenyl)methoxy]-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.08295 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.09023 194.5
[M+Na]+ 432.07217 209.9
[M+NH4]+ 427.11677 201.6
[M+K]+ 448.04611 203.3
[M-H]- 408.07567 203.0
[M+Na-2H]- 430.05762 204.9
[M]+ 409.08240 199.3
[M]- 409.08350 199.3
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.