CID 6870633

2-(4-chlorophenoxy)-n'-(3-nitrobenzylidene)acetohydrazide

Structural Information

Molecular Formula
C15H12ClN3O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])/C=N/NC(=O)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H12ClN3O4/c16-12-4-6-14(7-5-12)23-10-15(20)18-17-9-11-2-1-3-13(8-11)19(21)22/h1-9H,10H2,(H,18,20)/b17-9+
InChIKey
DWMIBBDDJJNOJZ-RQZCQDPDSA-N
Compound name
2-(4-chlorophenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.05164 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.05892 172.0
[M+Na]+ 356.04086 185.4
[M+NH4]+ 351.08546 178.9
[M+K]+ 372.01480 180.6
[M-H]- 332.04436 177.8
[M+Na-2H]- 354.02631 180.2
[M]+ 333.05109 175.5
[M]- 333.05219 175.5
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.