CID 4549294

90312-02-0

Structural Information

Molecular Formula

C₁₄H₁₅NO₃S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2CO

InChI

InChI=1S/C14H15NO3S/c1-11-6-8-13(9-7-11)19(17,18)15-14-5-3-2-4-12(14)10-16/h2-9,15-16H,10H2,1H3

InChIKey

VRPNCJQOSSNTOR-UHFFFAOYSA-N

Compound name

N-[2-(hydroxymethyl)phenyl]-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 22
Patents: 277.07727 Da
Monoisotopic Mass: 2.4
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]+	278.084546	160.3
[M+Na]+	300.066488	168.2
[M-H]-	276.069994	166.2
[M+NH4]+	295.111093	175.9
[M+K]+	316.040428	163.2
[M+H-H2O]+	260.074530	153.3
[M+HCOO]-	322.075471	178.5
[M+CH3COO]-	336.091121	195.5
[M+Na-2H]-	298.051936	165.0
[M]+	277.07672142	162.2
[M]-	277.07781858	162.2

Literature stripe

literature stripe

Patent stripe

patents stripe