CID 3025598

104388-94-5

Structural Information

Molecular Formula

C₁₁H₁₁N₃O₃S

SMILES

CNC(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)OC

InChI

InChI=1S/C11H11N3O3S/c1-12-9(15)10(16)14-11-13-7-4-3-6(17-2)5-8(7)18-11/h3-5H,1-2H3,(H,12,15)(H,13,14,16)

InChIKey

HCKWIPTWVKBARN-UHFFFAOYSA-N

Compound name

N'-(6-methoxy-1,3-benzothiazol-2-yl)-N-methyloxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 265.05212 Da
Monoisotopic Mass: 1.6
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]+	266.059396	156.0
[M+Na]+	288.041338	165.0
[M-H]-	264.044844	160.3
[M+NH4]+	283.085943	174.4
[M+K]+	304.015278	162.2
[M+H-H2O]+	248.049380	149.3
[M+HCOO]-	310.050321	176.5
[M+CH3COO]-	324.065971	197.3
[M+Na-2H]-	286.026786	159.6
[M]+	265.05157142	161.2
[M]-	265.05266858	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.