CID 3015852

36636-14-3

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₄S

SMILES

CC(=C)C(=O)NC1=CC(=C(C=C1)NS(=O)(=O)C)O

InChI

InChI=1S/C11H14N2O4S/c1-7(2)11(15)12-8-4-5-9(10(14)6-8)13-18(3,16)17/h4-6,13-14H,1H2,2-3H3,(H,12,15)

InChIKey

HRBJBJSKLARFRA-UHFFFAOYSA-N

Compound name

N-[3-hydroxy-4-(methanesulfonamido)phenyl]-2-methylprop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 270.0674 Da
Monoisotopic Mass: 0.7
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	157.6
[M+Na]+	293.056618	164.0
[M-H]-	269.060124	160.0
[M+NH4]+	288.101223	172.9
[M+K]+	309.030558	160.6
[M+H-H2O]+	253.064660	151.2
[M+HCOO]-	315.065601	174.3
[M+CH3COO]-	329.081251	197.5
[M+Na-2H]-	291.042066	159.5
[M]+	270.06685142	158.6
[M]-	270.06794858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe