CID 3083541

Sulocarbilate

Structural Information

Molecular Formula

C₉H₁₂N₂O₅S

SMILES

C1=CC(=CC=C1NC(=O)OCCO)S(=O)(=O)N

InChI

InChI=1S/C9H12N2O5S/c10-17(14,15)8-3-1-7(2-4-8)11-9(13)16-6-5-12/h1-4,12H,5-6H2,(H,11,13)(H2,10,14,15)

InChIKey

UHXMTGXWCGEIQE-UHFFFAOYSA-N

Compound name

2-hydroxyethyl N-(4-sulfamoylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 148
Patents: 260.0467 Da
Monoisotopic Mass: -0.3
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]+	261.053976	153.2
[M+Na]+	283.035918	159.5
[M-H]-	259.039424	154.9
[M+NH4]+	278.080523	168.5
[M+K]+	299.009858	156.7
[M+H-H2O]+	243.043960	146.5
[M+HCOO]-	305.044901	171.1
[M+CH3COO]-	319.060551	191.2
[M+Na-2H]-	281.021366	157.0
[M]+	260.04615142	154.7
[M]-	260.04724858	154.7

Literature stripe

literature stripe

Patent stripe

patents stripe