CID 596481

68867-19-6

Structural Information

Molecular Formula

C₁₀H₁₀N₂OS

SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C

InChI

InChI=1S/C10H10N2OS/c1-6(13)11-8-3-4-9-10(5-8)14-7(2)12-9/h3-5H,1-2H3,(H,11,13)

InChIKey

XLYNOVXELOHZDY-UHFFFAOYSA-N

Compound name

N-(2-methyl-1,3-benzothiazol-6-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 45
Patents: 206.05139 Da
Monoisotopic Mass: 2.0
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]+	207.05867	141.6
[M+Na]+	229.04061	152.5
[M-H]-	205.04411	146.2
[M+NH4]+	224.08521	163.2
[M+K]+	245.01455	149.0
[M+H-H2O]+	189.04865	135.8
[M+HCOO]-	251.04959	162.0
[M+CH3COO]-	265.06524	186.3
[M+Na-2H]-	227.02606	145.8
[M]+	206.05084	146.0
[M]-	206.05194	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe