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 151.4
[M+Na]+ 335.94128 164.1
[M-H]- 311.94478 158.2
[M+NH4]+ 330.98588 171.6
[M+K]+ 351.91522 152.0
[M+H-H2O]+ 295.94932 150.5
[M+HCOO]- 357.95026 169.7
[M+CH3COO]- 371.96591 201.3
[M+Na-2H]- 333.92673 157.1
[M]+ 312.95151 173.2
[M]- 312.95261 173.2
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.