CID 3847322

1576-39-2

Structural Information

Molecular Formula

C₁₄H₁₅NO₃S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NOCC2=CC=CC=C2

InChI

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

InChIKey

BIVFBEGRHVKMIS-UHFFFAOYSA-N

Compound name

4-methyl-N-phenylmethoxybenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 18
Patents: 277.07727 Da
Monoisotopic Mass: 2.8
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	160.6
[M+Na]+	300.066488	168.1
[M-H]-	276.069994	167.5
[M+NH4]+	295.111093	176.6
[M+K]+	316.040428	163.9
[M+H-H2O]+	260.074530	153.1
[M+HCOO]-	322.075471	180.3
[M+CH3COO]-	336.091121	196.8
[M+Na-2H]-	298.051936	166.3
[M]+	277.07672142	163.8
[M]-	277.07781858	163.8

Literature stripe

literature stripe

Patent stripe

patents stripe