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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	326.080516	169.7
[M+Na]+	348.062458	177.8
[M-H]-	324.065964	174.1
[M+NH4]+	343.107063	181.7
[M+K]+	364.036398	175.1
[M+H-H2O]+	308.070500	163.0
[M+HCOO]-	370.071441	181.6
[M+CH3COO]-	384.087091	202.1
[M+Na-2H]-	346.047906	172.5
[M]+	325.07269142	170.9
[M]-	325.07378858	170.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.