CID 3025599

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

Structural Information

Molecular Formula
C10H8BrN3O2S
SMILES
CNC(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)Br
InChI
InChI=1S/C10H8BrN3O2S/c1-12-8(15)9(16)14-10-13-6-3-2-5(11)4-7(6)17-10/h2-4H,1H3,(H,12,15)(H,13,14,16)
InChIKey
CAHHZWIMGMIKJV-UHFFFAOYSA-N
Compound name
N'-(6-bromo-1,3-benzothiazol-2-yl)-N-methyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.95206 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.95934 150.4
[M+Na]+ 335.94128 151.6
[M+NH4]+ 330.98588 154.3
[M+K]+ 351.91522 153.0
[M-H]- 311.94478 150.6
[M+Na-2H]- 333.92673 152.6
[M]+ 312.95151 149.5
[M]- 312.95261 149.5
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.