CID 51060979

2-((4-chlorobenzyl)oxy)-n'-(4-chloro-3-nitrobenzylidene)benzohydrazide

Structural Information

Molecular Formula
C21H15Cl2N3O4
SMILES
C1=CC=C(C(=C1)C(=O)N/N=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H15Cl2N3O4/c22-16-8-5-14(6-9-16)13-30-20-4-2-1-3-17(20)21(27)25-24-12-15-7-10-18(23)19(11-15)26(28)29/h1-12H,13H2,(H,25,27)/b24-12+
InChIKey
CXZCDMVOYRWATB-WYMPLXKRSA-N
Compound name
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[(4-chlorophenyl)methoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.04398 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.05126 204.4
[M+Na]+ 466.03320 209.7
[M-H]- 442.03670 213.7
[M+NH4]+ 461.07780 213.2
[M+K]+ 482.00714 199.7
[M+H-H2O]+ 426.04124 199.6
[M+HCOO]- 488.04218 221.6
[M+CH3COO]- 502.05783 226.6
[M+Na-2H]- 464.01865 207.8
[M]+ 443.04343 208.5
[M]- 443.04453 208.5
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.