CID 3065730

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

Structural Information

Molecular Formula
C13H13N3O2S
SMILES
CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)NCC=C
InChI
InChI=1S/C13H13N3O2S/c1-3-6-14-11(17)12(18)16-13-15-9-5-4-8(2)7-10(9)19-13/h3-5,7H,1,6H2,2H3,(H,14,17)(H,15,16,18)
InChIKey
QDJUJBRTFCTMGU-UHFFFAOYSA-N
Compound name
N'-(6-methyl-1,3-benzothiazol-2-yl)-N-prop-2-enyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.07285 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.08013 161.4
[M+Na]+ 298.06207 170.1
[M-H]- 274.06557 165.4
[M+NH4]+ 293.10667 179.4
[M+K]+ 314.03601 165.7
[M+H-H2O]+ 258.07011 154.6
[M+HCOO]- 320.07105 181.2
[M+CH3COO]- 334.08670 200.3
[M+Na-2H]- 296.04752 163.9
[M]+ 275.07230 165.3
[M]- 275.07340 165.3
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.