CID 3025598

N-(6-methoxy-2-benzothiazolyl)-n'-methylethanediamide

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.05940 156.0
[M+Na]+ 288.04134 165.0
[M-H]- 264.04484 160.3
[M+NH4]+ 283.08594 174.4
[M+K]+ 304.01528 162.2
[M+H-H2O]+ 248.04938 149.3
[M+HCOO]- 310.05032 176.5
[M+CH3COO]- 324.06597 197.3
[M+Na-2H]- 286.02679 159.6
[M]+ 265.05157 161.2
[M]- 265.05267 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.