CID 2813485

Maybridge3_002569

Structural Information

Molecular Formula

C₁₅H₂₀N₂O₃S

SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N(CC2=CC=CC=C2)C(C)C

InChI

InChI=1S/C15H20N2O3S/c1-11(2)17(10-14-8-6-5-7-9-14)21(18,19)15-12(3)16-20-13(15)4/h5-9,11H,10H2,1-4H3

InChIKey

BFZANJDIGFUGSZ-UHFFFAOYSA-N

Compound name

N-benzyl-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 308.11948 Da
Monoisotopic Mass: 2.6
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]+	309.126756	171.4
[M+Na]+	331.108698	179.4
[M-H]-	307.112204	179.6
[M+NH4]+	326.153303	186.4
[M+K]+	347.082638	178.2
[M+H-H2O]+	291.116740	164.1
[M+HCOO]-	353.117681	189.0
[M+CH3COO]-	367.133331	207.7
[M+Na-2H]-	329.094146	172.6
[M]+	308.11893142	178.0
[M]-	308.12002858	178.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.