CID 6869315

N'-(4-chlorobenzylidene)-2-(4-nitrophenoxy)acetohydrazide

Structural Information

Molecular Formula
C15H12ClN3O4
SMILES
C1=CC(=CC=C1/C=N/NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C15H12ClN3O4/c16-12-3-1-11(2-4-12)9-17-18-15(20)10-23-14-7-5-13(6-8-14)19(21)22/h1-9H,10H2,(H,18,20)/b17-9+
InChIKey
MHQQZXSDVZZKKC-RQZCQDPDSA-N
Compound name
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-nitrophenoxy)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 173.9
[M+Na]+ 356.04086 179.3
[M-H]- 332.04436 181.3
[M+NH4]+ 351.08546 187.0
[M+K]+ 372.01480 171.3
[M+H-H2O]+ 316.04890 170.3
[M+HCOO]- 378.04984 197.4
[M+CH3COO]- 392.06549 206.5
[M+Na-2H]- 354.02631 180.4
[M]+ 333.05109 176.1
[M]- 333.05219 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.