CID 132023

3-(butyrylamino)benzamide

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂

SMILES

CCCC(=O)NC1=CC=CC(=C1)C(=O)N

InChI

InChI=1S/C11H14N2O2/c1-2-4-10(14)13-9-6-3-5-8(7-9)11(12)15/h3,5-7H,2,4H2,1H3,(H2,12,15)(H,13,14)

InChIKey

DZYCSRMTMDCDGB-UHFFFAOYSA-N

Compound name

3-(butanoylamino)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 8
Patents: 206.10553 Da
Monoisotopic Mass: 1.5
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]+	207.11281	146.4
[M+Na]+	229.09475	152.2
[M-H]-	205.09825	149.5
[M+NH4]+	224.13935	164.4
[M+K]+	245.06869	150.2
[M+H-H2O]+	189.10279	139.7
[M+HCOO]-	251.10373	170.5
[M+CH3COO]-	265.11938	191.1
[M+Na-2H]-	227.08020	149.8
[M]+	206.10498	144.9
[M]-	206.10608	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe