CID 22379

Butanilicaine

Structural Information

Molecular Formula

C₁₃H₁₉ClN₂O

SMILES

CCCCNCC(=O)NC1=C(C=CC=C1Cl)C

InChI

InChI=1S/C13H19ClN2O/c1-3-4-8-15-9-12(17)16-13-10(2)6-5-7-11(13)14/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17)

InChIKey

VWYQKFLLGRBICZ-UHFFFAOYSA-N

Compound name

2-(butylamino)-N-(2-chloro-6-methylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 3310
Patents: 254.11859 Da
Monoisotopic Mass: 2.1
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]+	255.12587	158.9
[M+Na]+	277.10781	170.3
[M+NH4]+	272.15241	166.7
[M+K]+	293.08175	162.8
[M-H]-	253.11131	161.8
[M+Na-2H]-	275.09326	164.6
[M]+	254.11804	161.4
[M]-	254.11914	161.4

Literature stripe

literature stripe

Patent stripe

patents stripe