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: 22
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]+	278.08455	161.0
[M+Na]+	300.06649	173.7
[M+NH4]+	295.11109	168.9
[M+K]+	316.04043	165.1
[M-H]-	276.06999	164.9
[M+Na-2H]-	298.05194	169.8
[M]+	277.07672	164.4
[M]-	277.07782	164.4

Literature stripe

literature stripe

Patent stripe

patents stripe