CID 207769

Brn 2153985

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₄S

SMILES

CC(=O)NCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C10H13N3O4S/c1-7(14)12-6-10(15)13-8-2-4-9(5-3-8)18(11,16)17/h2-5H,6H2,1H3,(H,12,14)(H,13,15)(H2,11,16,17)

InChIKey

KZZZOOYMQHLMIF-UHFFFAOYSA-N

Compound name

2-acetamido-N-(4-sulfamoylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.06268 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]+	272.069956	157.4
[M+Na]+	294.051898	162.9
[M-H]-	270.055404	160.4
[M+NH4]+	289.096503	172.4
[M+K]+	310.025838	160.2
[M+H-H2O]+	254.059940	150.2
[M+HCOO]-	316.060881	176.3
[M+CH3COO]-	330.076531	199.7
[M+Na-2H]-	292.037346	160.4
[M]+	271.06213142	157.5
[M]-	271.06322858	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.