CID 20121422

2-(4-aminophenyl)-n-(4-methyl-1,3-thiazol-2-yl)acetamide

Structural Information

Molecular Formula

C₁₂H₁₃N₃OS

SMILES

CC1=CSC(=N1)NC(=O)CC2=CC=C(C=C2)N

InChI

InChI=1S/C12H13N3OS/c1-8-7-17-12(14-8)15-11(16)6-9-2-4-10(13)5-3-9/h2-5,7H,6,13H2,1H3,(H,14,15,16)

InChIKey

HCEPPQCQXHYLGM-UHFFFAOYSA-N

Compound name

2-(4-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 247.07793 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]+	248.085206	154.2
[M+Na]+	270.067148	162.2
[M-H]-	246.070654	159.9
[M+NH4]+	265.111753	171.9
[M+K]+	286.041088	157.8
[M+H-H2O]+	230.075190	146.7
[M+HCOO]-	292.076131	174.4
[M+CH3COO]-	306.091781	195.1
[M+Na-2H]-	268.052596	155.3
[M]+	247.07738142	154.6
[M]-	247.07847858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.