CID 1955401

Ethanediamide, n-methyl-n'-(6-methyl-2-benzothiazolyl)-

Structural Information

Molecular Formula
C11H11N3O2S
SMILES
CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)NC
InChI
InChI=1S/C11H11N3O2S/c1-6-3-4-7-8(5-6)17-11(13-7)14-10(16)9(15)12-2/h3-5H,1-2H3,(H,12,15)(H,13,14,16)
InChIKey
MBQXEDGYSYBIDR-UHFFFAOYSA-N
Compound name
N-methyl-N'-(6-methyl-1,3-benzothiazol-2-yl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.0572 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.06448 153.1
[M+Na]+ 272.04642 162.4
[M-H]- 248.04992 157.5
[M+NH4]+ 267.09102 172.3
[M+K]+ 288.02036 159.1
[M+H-H2O]+ 232.05446 146.6
[M+HCOO]- 294.05540 173.4
[M+CH3COO]- 308.07105 195.1
[M+Na-2H]- 270.03187 156.5
[M]+ 249.05665 157.0
[M]- 249.05775 157.0
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.