CID 151075

Nepafenac

Structural Information

Molecular Formula

C₁₅H₁₄N₂O₂

SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2N)CC(=O)N

InChI

InChI=1S/C15H14N2O2/c16-13(18)9-11-7-4-8-12(14(11)17)15(19)10-5-2-1-3-6-10/h1-8H,9,17H2,(H2,16,18)

InChIKey

QEFAQIPZVLVERP-UHFFFAOYSA-N

Compound name

2-(2-amino-3-benzoylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 202
References: 8715
Patents: 254.10553 Da
Monoisotopic Mass: 1.9
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]+	255.11281	158.1
[M+Na]+	277.09475	164.3
[M-H]-	253.09825	164.1
[M+NH4]+	272.13935	173.6
[M+K]+	293.06869	160.5
[M+H-H2O]+	237.10279	150.3
[M+HCOO]-	299.10373	181.8
[M+CH3COO]-	313.11938	200.4
[M+Na-2H]-	275.08020	160.4
[M]+	254.10498	155.1
[M]-	254.10608	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe