CID 576319

1-(4-methylbenzenesulfonyl)-2-phenylaziridine

Structural Information

Molecular Formula

C₁₅H₁₅NO₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC2C3=CC=CC=C3

InChI

InChI=1S/C15H15NO2S/c1-12-7-9-14(10-8-12)19(17,18)16-11-15(16)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3

InChIKey

KUWCTOOXSUPLAW-UHFFFAOYSA-N

Compound name

1-(4-methylphenyl)sulfonyl-2-phenylaziridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 42
Patents: 273.08234 Da
Monoisotopic Mass: 2.7
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]+	274.08962	159.1
[M+Na]+	296.07156	169.6
[M-H]-	272.07506	168.4
[M+NH4]+	291.11616	169.8
[M+K]+	312.04550	164.4
[M+H-H2O]+	256.07960	151.1
[M+HCOO]-	318.08054	176.9
[M+CH3COO]-	332.09619	197.8
[M+Na-2H]-	294.05701	163.2
[M]+	273.08179	163.6
[M]-	273.08289	163.6

Literature stripe

literature stripe

Patent stripe

patents stripe