CID 170111

Benzoic acid, 2-[[[(1-methylethyl)amino]sulfonyl]amino]-

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₄S

SMILES

CC(C)NS(=O)(=O)NC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C10H14N2O4S/c1-7(2)11-17(15,16)12-9-6-4-3-5-8(9)10(13)14/h3-7,11-12H,1-2H3,(H,13,14)

InChIKey

QYNUKEJTUODYDD-UHFFFAOYSA-N

Compound name

2-(propan-2-ylsulfamoylamino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 258.0674 Da
Monoisotopic Mass: 1.5
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]+	259.074676	154.2
[M+Na]+	281.056618	159.8
[M-H]-	257.060124	156.4
[M+NH4]+	276.101223	169.7
[M+K]+	297.030558	157.2
[M+H-H2O]+	241.064660	147.7
[M+HCOO]-	303.065601	171.2
[M+CH3COO]-	317.081251	194.7
[M+Na-2H]-	279.042066	157.2
[M]+	258.06685142	155.2
[M]-	258.06794858	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe