CID 13073192

Methyl 4-amino-3-phenylisothiazole-5-carboxylate

Structural Information

Molecular Formula
C11H10N2O2S
SMILES
COC(=O)C1=C(C(=NS1)C2=CC=CC=C2)N
InChI
InChI=1S/C11H10N2O2S/c1-15-11(14)10-8(12)9(13-16-10)7-5-3-2-4-6-7/h2-6H,12H2,1H3
InChIKey
BCLABDHRUQOVHX-UHFFFAOYSA-N
Compound name
methyl 4-amino-3-phenyl-1,2-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

234.0463 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05358 150.3
[M+Na]+ 257.03552 161.9
[M+NH4]+ 252.08012 158.4
[M+K]+ 273.00946 156.1
[M-H]- 233.03902 153.6
[M+Na-2H]- 255.02097 156.9
[M]+ 234.04575 153.1
[M]- 234.04685 153.1
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