CID 597793

154404-97-4

Structural Information

Molecular Formula
C9H10N2O2S
SMILES
CC(=O)NC1=NC2=C(S1)C(=O)CCC2
InChI
InChI=1S/C9H10N2O2S/c1-5(12)10-9-11-6-3-2-4-7(13)8(6)14-9/h2-4H2,1H3,(H,10,11,12)
InChIKey
VXXUKWLHWFFUNS-UHFFFAOYSA-N
Compound name
N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

85
Patents

210.0463 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.053576 143.1
[M+Na]+ 233.035518 151.3
[M-H]- 209.039024 146.5
[M+NH4]+ 228.080123 163.9
[M+K]+ 249.009458 148.7
[M+H-H2O]+ 193.043560 137.4
[M+HCOO]- 255.044501 159.8
[M+CH3COO]- 269.060151 185.5
[M+Na-2H]- 231.020966 145.1
[M]+ 210.04575142 143.6
[M]- 210.04684858 143.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe