CID 3847385

1-(2-amino-1,3-benzothiazol-6-yl)ethan-1-one

Structural Information

Molecular Formula
C9H8N2OS
SMILES
CC(=O)C1=CC2=C(C=C1)N=C(S2)N
InChI
InChI=1S/C9H8N2OS/c1-5(12)6-2-3-7-8(4-6)13-9(10)11-7/h2-4H,1H3,(H2,10,11)
InChIKey
OKAQYTQTHTXQQH-UHFFFAOYSA-N
Compound name
1-(2-amino-1,3-benzothiazol-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

192.03574 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04302 137.2
[M+Na]+ 215.02496 148.6
[M-H]- 191.02846 141.4
[M+NH4]+ 210.06956 159.0
[M+K]+ 230.99890 144.9
[M+H-H2O]+ 175.03300 131.6
[M+HCOO]- 237.03394 157.3
[M+CH3COO]- 251.04959 151.6
[M+Na-2H]- 213.01041 140.9
[M]+ 192.03519 140.4
[M]- 192.03629 140.4
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

patents stripe