CID 37057

F 1 (analgesic)

Structural Information

Molecular Formula

C₂₀H₁₆N₂O₃

SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2C(=O)O)NC3=CC=CC=C3

InChI

InChI=1S/C20H16N2O3/c23-19(14-8-3-1-4-9-14)22-17-13-7-12-16(18(17)20(24)25)21-15-10-5-2-6-11-15/h1-13,21H,(H,22,23)(H,24,25)

InChIKey

ZJZHHYJNBXEUNF-UHFFFAOYSA-N

Compound name

2-anilino-6-benzamidobenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 332.1161 Da
Monoisotopic Mass: 4.9
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]+	333.12338	176.5
[M+Na]+	355.10532	181.0
[M-H]-	331.10882	184.7
[M+NH4]+	350.14992	187.8
[M+K]+	371.07926	176.2
[M+H-H2O]+	315.11336	166.9
[M+HCOO]-	377.11430	199.5
[M+CH3COO]-	391.12995	211.9
[M+Na-2H]-	353.09077	180.6
[M]+	332.11555	174.0
[M]-	332.11665	174.0

Literature stripe

literature stripe

Patent stripe

patents stripe