CID 45156979

1048917-10-7

Structural Information

Molecular Formula
C13H15N3O5S
SMILES
C1CC(CN(C1)C2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N)C(=O)O
InChI
InChI=1S/C13H15N3O5S/c14-22(19,20)9-3-4-11-10(6-9)15-13(21-11)16-5-1-2-8(7-16)12(17)18/h3-4,6,8H,1-2,5,7H2,(H,17,18)(H2,14,19,20)
InChIKey
JFQSBRZNVCBOPQ-UHFFFAOYSA-N
Compound name
1-(5-sulfamoyl-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.07324 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.08052 169.0
[M+Na]+ 348.06246 178.4
[M+NH4]+ 343.10706 174.0
[M+K]+ 364.03640 176.0
[M-H]- 324.06596 170.4
[M+Na-2H]- 346.04791 171.8
[M]+ 325.07269 170.8
[M]- 325.07379 170.8
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.