CID 19161

Bumadizone

Structural Information

Molecular Formula

C₁₉H₂₂N₂O₃

SMILES

CCCCC(C(=O)N(C1=CC=CC=C1)NC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H22N2O3/c1-2-3-14-17(19(23)24)18(22)21(16-12-8-5-9-13-16)20-15-10-6-4-7-11-15/h4-13,17,20H,2-3,14H2,1H3,(H,23,24)

InChIKey

FLWFHHFTIRLFPV-UHFFFAOYSA-N

Compound name

2-[anilino(phenyl)carbamoyl]hexanoic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 6
References: 29993
Patents: 326.16306 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]+	327.17034	179.0
[M+Na]+	349.15228	180.7
[M-H]-	325.15578	184.4
[M+NH4]+	344.19688	191.1
[M+K]+	365.12622	178.4
[M+H-H2O]+	309.16032	169.8
[M+HCOO]-	371.16126	200.6
[M+CH3COO]-	385.17691	214.3
[M+Na-2H]-	347.13773	180.3
[M]+	326.16251	178.6
[M]-	326.16361	178.6

Literature stripe

literature stripe

Patent stripe

patents stripe