CID 9446

320-90-1

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₄S

SMILES

CC(C)OC(=O)C1=C(C=C(C=C1)N)S(=O)(=O)N

InChI

InChI=1S/C10H14N2O4S/c1-6(2)16-10(13)8-4-3-7(11)5-9(8)17(12,14)15/h3-6H,11H2,1-2H3,(H2,12,14,15)

InChIKey

RMKBZZLNLVFLRF-UHFFFAOYSA-N

Compound name

propan-2-yl 4-amino-2-sulfamoylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 258.0674 Da
Monoisotopic Mass: 0.5
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	154.8
[M+Na]+	281.056618	161.8
[M-H]-	257.060124	157.7
[M+NH4]+	276.101223	170.9
[M+K]+	297.030558	159.4
[M+H-H2O]+	241.064660	148.3
[M+HCOO]-	303.065601	171.9
[M+CH3COO]-	317.081251	196.6
[M+Na-2H]-	279.042066	155.5
[M]+	258.06685142	156.0
[M]-	258.06794858	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe