CID 2756763

225525-50-8

Structural Information

Molecular Formula
C13H14N2O4S
SMILES
CC(C)(C)OC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)O
InChI
InChI=1S/C13H14N2O4S/c1-13(2,3)19-12(18)15-11-14-8-5-4-7(10(16)17)6-9(8)20-11/h4-6H,1-3H3,(H,16,17)(H,14,15,18)
InChIKey
HMAATCOHUYHORT-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

46
Patents

294.0674 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.07468 165.9
[M+Na]+ 317.05662 175.0
[M+NH4]+ 312.10122 171.8
[M+K]+ 333.03056 171.7
[M-H]- 293.06012 165.2
[M+Na-2H]- 315.04207 168.9
[M]+ 294.06685 167.2
[M]- 294.06795 167.2
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