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 169.4
[M-H]- 298.08332 172.7
[M+NH4]+ 317.12442 178.7
[M+K]+ 338.05376 163.2
[M+H-H2O]+ 282.08786 161.1
[M+HCOO]- 344.08880 192.2
[M+CH3COO]- 358.10445 201.7
[M+Na-2H]- 320.06527 171.4
[M]+ 299.09005 163.4
[M]- 299.09115 163.4
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.