CID 72079

Etisazole

Structural Information

Molecular Formula
C9H10N2S
SMILES
CCNC1=NSC2=CC=CC=C21
InChI
InChI=1S/C9H10N2S/c1-2-10-9-7-5-3-4-6-8(7)12-11-9/h3-6H,2H2,1H3,(H,10,11)
InChIKey
CPYSWRYVSINXMC-UHFFFAOYSA-N
Compound name
N-ethyl-1,2-benzothiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

88
Patents

178.05647 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.063746 133.1
[M+Na]+ 201.045688 143.8
[M-H]- 177.049194 137.3
[M+NH4]+ 196.090293 155.7
[M+K]+ 217.019628 140.1
[M+H-H2O]+ 161.053730 127.2
[M+HCOO]- 223.054671 154.5
[M+CH3COO]- 237.070321 147.7
[M+Na-2H]- 199.031136 139.6
[M]+ 178.05592142 136.7
[M]- 178.05701858 136.7
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.