CID 3065732

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

Structural Information

Molecular Formula
C10H9N3O3S
SMILES
CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)NO
InChI
InChI=1S/C10H9N3O3S/c1-5-2-3-6-7(4-5)17-10(11-6)12-8(14)9(15)13-16/h2-4,16H,1H3,(H,13,15)(H,11,12,14)
InChIKey
NXAIJEATGDXWKI-UHFFFAOYSA-N
Compound name
N'-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.03647 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.04375 151.4
[M+Na]+ 274.02569 160.4
[M-H]- 250.02919 154.4
[M+NH4]+ 269.07029 169.6
[M+K]+ 289.99963 157.0
[M+H-H2O]+ 234.03373 145.2
[M+HCOO]- 296.03467 170.7
[M+CH3COO]- 310.05032 192.0
[M+Na-2H]- 272.01114 155.1
[M]+ 251.03592 154.5
[M]- 251.03702 154.5
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.