CID 739505

N-(6-amino-1,3-benzothiazol-2-yl)acetamide dihydrochloride

Structural Information

Molecular Formula
C9H9N3OS
SMILES
CC(=O)NC1=NC2=C(S1)C=C(C=C2)N
InChI
InChI=1S/C9H9N3OS/c1-5(13)11-9-12-7-3-2-6(10)4-8(7)14-9/h2-4H,10H2,1H3,(H,11,12,13)
InChIKey
QYCAVTLNCHRGHB-UHFFFAOYSA-N
Compound name
N-(6-amino-1,3-benzothiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

116
Patents

207.04663 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.053906 140.6
[M+Na]+ 230.035848 151.0
[M-H]- 206.039354 144.6
[M+NH4]+ 225.080453 161.4
[M+K]+ 246.009788 147.2
[M+H-H2O]+ 190.043890 134.5
[M+HCOO]- 252.044831 161.6
[M+CH3COO]- 266.060481 187.7
[M+Na-2H]- 228.021296 145.0
[M]+ 207.04608142 142.9
[M]- 207.04717858 142.9
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