CID 4445158

Methyl 2-aminobenzo[d]thiazole-4-carboxylate

Structural Information

Molecular Formula
C9H8N2O2S
SMILES
COC(=O)C1=C2C(=CC=C1)SC(=N2)N
InChI
InChI=1S/C9H8N2O2S/c1-13-8(12)5-3-2-4-6-7(5)11-9(10)14-6/h2-4H,1H3,(H2,10,11)
InChIKey
JWSQSUAAMGQUJI-UHFFFAOYSA-N
Compound name
methyl 2-amino-1,3-benzothiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

208.03065 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03793 141.5
[M+Na]+ 231.01987 153.4
[M+NH4]+ 226.06447 150.0
[M+K]+ 246.99381 147.8
[M-H]- 207.02337 143.4
[M+Na-2H]- 229.00532 146.8
[M]+ 208.03010 144.0
[M]- 208.03120 144.0
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