CID 6870634

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

Structural Information

Molecular Formula
C15H12ClN3O4
SMILES
C1=CC(=CC=C1/C=N/NC(=O)COC2=CC=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C15H12ClN3O4/c16-12-3-7-14(8-4-12)23-10-15(20)18-17-9-11-1-5-13(6-2-11)19(21)22/h1-9H,10H2,(H,18,20)/b17-9+
InChIKey
QRXXWMFRBZCAST-RQZCQDPDSA-N
Compound name
2-(4-chlorophenoxy)-N-[(E)-(4-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]+ 334.058916 173.9
[M+Na]+ 356.040858 179.3
[M-H]- 332.044364 181.3
[M+NH4]+ 351.085463 187.0
[M+K]+ 372.014798 171.3
[M+H-H2O]+ 316.048900 170.3
[M+HCOO]- 378.049841 197.4
[M+CH3COO]- 392.065491 206.5
[M+Na-2H]- 354.026306 180.4
[M]+ 333.05109142 176.1
[M]- 333.05218858 176.1
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.