CID 2512751

2-hydroxy-5-(pyrrolidine-1-sulfonyl)benzamide

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₄S

SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)N

InChI

InChI=1S/C11H14N2O4S/c12-11(15)9-7-8(3-4-10(9)14)18(16,17)13-5-1-2-6-13/h3-4,7,14H,1-2,5-6H2,(H2,12,15)

InChIKey

YJBKNNLAVRDQPM-UHFFFAOYSA-N

Compound name

2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 270.0674 Da
Monoisotopic Mass: 0.6
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]+	271.074676	158.5
[M+Na]+	293.056618	165.4
[M-H]-	269.060124	162.4
[M+NH4]+	288.101223	174.3
[M+K]+	309.030558	162.0
[M+H-H2O]+	253.064660	152.2
[M+HCOO]-	315.065601	173.1
[M+CH3COO]-	329.081251	191.4
[M+Na-2H]-	291.042066	158.7
[M]+	270.06685142	157.1
[M]-	270.06794858	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.