CID 6535921

O-benzoyl-2-(p-nitrophenyl)acetamidoxime

Structural Information

Molecular Formula
C15H13N3O4
SMILES
C1=CC=C(C=C1)C(=O)O/N=C(\CC2=CC=C(C=C2)[N+](=O)[O-])/N
InChI
InChI=1S/C15H13N3O4/c16-14(10-11-6-8-13(9-7-11)18(20)21)17-22-15(19)12-4-2-1-3-5-12/h1-9H,10H2,(H2,16,17)
InChIKey
SPMJDENQLBKKAO-UHFFFAOYSA-N
Compound name
[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.0906 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.09788 165.6
[M+Na]+ 322.07982 177.3
[M+NH4]+ 317.12442 172.0
[M+K]+ 338.05376 174.3
[M-H]- 298.08332 171.0
[M+Na-2H]- 320.06527 173.3
[M]+ 299.09005 168.4
[M]- 299.09115 168.4
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.