CID 66186546

1582191-78-3

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2CNC2

InChI

InChI=1S/C10H14N2O2S/c1-8-2-4-10(5-3-8)15(13,14)12-9-6-11-7-9/h2-5,9,11-12H,6-7H2,1H3

InChIKey

QYQVGVNLYRANBW-UHFFFAOYSA-N

Compound name

N-(azetidin-3-yl)-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 226.0776 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]+	227.084876	145.2
[M+Na]+	249.066818	150.0
[M-H]-	225.070324	148.6
[M+NH4]+	244.111423	154.6
[M+K]+	265.040758	149.4
[M+H-H2O]+	209.074860	132.1
[M+HCOO]-	271.075801	159.6
[M+CH3COO]-	285.091451	188.4
[M+Na-2H]-	247.052266	149.0
[M]+	226.07705142	152.2
[M]-	226.07814858	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe