CID 207824

30831-95-9

Structural Information

Molecular Formula
C11H13NO3S
SMILES
CCOC(=O)N1C(SC2=CC=CC=C21)OC
InChI
InChI=1S/C11H13NO3S/c1-3-15-10(13)12-8-6-4-5-7-9(8)16-11(12)14-2/h4-7,11H,3H2,1-2H3
InChIKey
YGLSNMHTEFSREI-UHFFFAOYSA-N
Compound name
ethyl 2-methoxy-2H-1,3-benzothiazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.06161 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06889 151.5
[M+Na]+ 262.05083 160.5
[M-H]- 238.05433 155.2
[M+NH4]+ 257.09543 171.8
[M+K]+ 278.02477 158.5
[M+H-H2O]+ 222.05887 145.8
[M+HCOO]- 284.05981 168.2
[M+CH3COO]- 298.07546 188.5
[M+Na-2H]- 260.03628 153.0
[M]+ 239.06106 157.0
[M]- 239.06216 157.0
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

No patent data available for this compound.