CID 7192

2-amino-6-ethoxybenzothiazole

Structural Information

Molecular Formula
C9H10N2OS
SMILES
CCOC1=CC2=C(C=C1)N=C(S2)N
InChI
InChI=1S/C9H10N2OS/c1-2-12-6-3-4-7-8(5-6)13-9(10)11-7/h3-5H,2H2,1H3,(H2,10,11)
InChIKey
KOYJWFGMEBETBU-UHFFFAOYSA-N
Compound name
6-ethoxy-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

747
Patents

194.05139 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.058666 137.1
[M+Na]+ 217.040608 148.5
[M-H]- 193.044114 141.2
[M+NH4]+ 212.085213 159.0
[M+K]+ 233.014548 144.9
[M+H-H2O]+ 177.048650 131.3
[M+HCOO]- 239.049591 158.1
[M+CH3COO]- 253.065241 151.6
[M+Na-2H]- 215.026056 141.9
[M]+ 194.05084142 141.5
[M]- 194.05193858 141.5
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