CID 51031365

1263303-95-2

Structural Information

Molecular Formula

C₁₅H₁₁N₃O₂

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)/C(=N/O)/C#N

InChI

InChI=1S/C15H11N3O2/c16-10-14(18-20)15(19)17-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,20H,(H,17,19)/b18-14+

InChIKey

YFGFEIDPJVPFOM-NBVRZTHBSA-N

Compound name

(2E)-2-cyano-2-hydroxyimino-N-(4-phenylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 265.0851 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	266.09238	168.2
[M+Na]+	288.07432	175.8
[M-H]-	264.07782	173.0
[M+NH4]+	283.11892	181.5
[M+K]+	304.04826	170.9
[M+H-H2O]+	248.08236	153.4
[M+HCOO]-	310.08330	188.7
[M+CH3COO]-	324.09895	210.5
[M+Na-2H]-	286.05977	171.7
[M]+	265.08455	161.1
[M]-	265.08565	161.1

Literature stripe

literature stripe

Patent stripe

patents stripe