CID 129987507

Schembl21496430

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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

No literature data available for this compound.

Patent stripe

patents stripe