CID 47478

64893-02-3

Structural Information

Molecular Formula

C₁₃H₁₉ClN₂O

SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)CNC(C)(C)C

InChI

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

InChIKey

FUMLJCDXXMQKGI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 254.11859 Da
Monoisotopic Mass: 1.8
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]+	255.125866	160.0
[M+Na]+	277.107808	167.2
[M-H]-	253.111314	163.8
[M+NH4]+	272.152413	178.0
[M+K]+	293.081748	163.1
[M+H-H2O]+	237.115850	154.8
[M+HCOO]-	299.116791	178.6
[M+CH3COO]-	313.132441	200.3
[M+Na-2H]-	275.093256	164.1
[M]+	254.11804142	162.1
[M]-	254.11913858	162.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe